lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc4ccn(C5CC6CCC5C6)c4n3)cc2)CC1
InChIKey: ACDIRSKTMRLXAX-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of histone H3 phosphorylation by murine Aurora A kinase
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 402.55, ALogP 4.29, HBA 6, HBD 1, PSA 49.22, QED 0.71
Compound (SMILES): COc1cccc(-n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1
InChIKey: RTOLRZJVJBIABS-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of histone H3 phosphorylation by murine Aurora A kinase
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 414.51, ALogP 3.92, HBA 7, HBD 1, PSA 58.45, QED 0.53
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc4ccn(-c5cccnc5)c4n3)cc2)CC1
InChIKey: LIVPFCSSZNEUQL-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of histone H3 phosphorylation by murine Aurora A kinase
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 385.48, ALogP 3.31, HBA 7, HBD 1, PSA 62.11, QED 0.58
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc4ccn(-c5cccc(S(C)(=O)=O)c5)c4n3)cc2)CC1
InChIKey: PMKNWNBABNJCEO-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of histone H3 phosphorylation by murine Aurora A kinase
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 462.58, ALogP 3.32, HBA 8, HBD 1, PSA 83.36, QED 0.49
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc4ccn(C5Cc6ccccc6C5)c4n3)cc2)CC1
InChIKey: FPNKJOJLOBFLCN-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of histone H3 phosphorylation by murine Aurora A kinase
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 424.55, ALogP 4.27, HBA 6, HBD 1, PSA 49.22, QED 0.53
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)ccc2n1
InChIKey: JUVHCZDPIRYPPQ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 421.97, ALogP 6.34, HBA 3, HBD 2, PSA 68.01, QED 0.5
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: FCCWHXNZERKPRB-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 401.43, ALogP 5.36, HBA 3, HBD 2, PSA 68.01, QED 0.58
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIKey: RHMZTDUJISCDBB-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 449.48, ALogP 6.71, HBA 3, HBD 2, PSA 68.01, QED 0.36
Compound (SMILES): CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCN(C)CC5)c4)C[C@@H]3C2)CC1
InChIKey: ORJXIEFYGFHZJE-HBVNVMGMSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Binding activity against human MCH-R1
Measurement: Ki = 321 nM (pChEMBL 6.489999771118164)
Descriptors: MW 591.8, ALogP 4.54, HBA 6, HBD 1, PSA 44.88, QED 0.39
Compound (SMILES): O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccccc1
InChIKey: OZECHSIEHKYJND-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of MCH-mediated calcium release by CHO cells expressing human MCH-R1
Measurement: IC50 = 948 nM (pChEMBL 6.019999980926514)
Descriptors: MW 344.46, ALogP 4.23, HBA 2, HBD 1, PSA 32.34, QED 0.77
Compound (SMILES): COc1cc(OC)cc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c1
InChIKey: GOQYJGUAYWTBMB-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of MCH-mediated calcium release by CHO cells expressing human MCH-R1
Measurement: IC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 404.51, ALogP 4.25, HBA 4, HBD 1, PSA 50.8, QED 0.67
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2n1
InChIKey: BZLBLJIDXKUVIY-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 415.92, ALogP 6.34, HBA 3, HBD 2, PSA 68.01, QED 0.4
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1
InChIKey: BIDLIOISUBBYOB-DHZHZOJOSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 365.86, ALogP 5.07, HBA 3, HBD 2, PSA 68.01, QED 0.62
Compound (SMILES): O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)c(F)c1
InChIKey: GQPMKLRUBACYLZ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of MCH-mediated calcium release by CHO cells expressing human MCH-R1
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 380.44, ALogP 4.51, HBA 2, HBD 1, PSA 32.34, QED 0.72
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(I)cc3)ccc2n1
InChIKey: BEHNOQZKDVPNIB-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 457.32, ALogP 5.03, HBA 3, HBD 2, PSA 68.01, QED 0.42
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc2n1
InChIKey: KQOAPZLBNOPQFR-FMIVXFBMSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 345.45, ALogP 4.73, HBA 3, HBD 2, PSA 68.01, QED 0.66
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: MXYWRAMYWAFZNP-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 399.42, ALogP 5.44, HBA 3, HBD 2, PSA 68.01, QED 0.56
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(CC)cc3)ccc2n1
InChIKey: NAISSBBPUWBPAO-JLHYYAGUSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 359.47, ALogP 4.98, HBA 3, HBD 2, PSA 68.01, QED 0.61
Compound (SMILES): CCCc1ccc(/C=C/C(=O)Nc2ccc3nc(CCC)cc(N)c3c2)cc1
InChIKey: CQVXFZJUXUJIPF-SDNWHVSQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 373.5, ALogP 5.37, HBA 3, HBD 2, PSA 68.01, QED 0.55
Compound (SMILES): CCCCc1ccc(/C=C/C(=O)Nc2ccc3nc(CCC)cc(N)c3c2)cc1
InChIKey: HMKZLJSRUCIUQX-NTCAYCPXSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 740 nM (pChEMBL 6.130000114440918)
Descriptors: MW 387.53, ALogP 5.76, HBA 3, HBD 2, PSA 68.01, QED 0.48
Compound (SMILES): COc1cc(OC)cc(C(=O)N[C@@H]2CCN(Cc3ccc4ccccc4c3)C2)c1
InChIKey: IWBPLOCOVVLUIE-OAQYLSRUSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of MCH-mediated calcium release by CHO cells expressing human MCH-R1
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 390.48, ALogP 3.86, HBA 4, HBD 1, PSA 50.8, QED 0.69
Compound (SMILES): CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CN5CCCCC5)c4)C[C@@H]3C2)CC1
InChIKey: MHCFNPUPBDQPNI-HBVNVMGMSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay
Measurement: IC50 = 405 nM (pChEMBL 6.389999866485596)
Descriptors: MW 576.78, ALogP 5.78, HBA 5, HBD 1, PSA 41.64, QED 0.35
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)ccc2n1
InChIKey: JDELHCLOQLKVHF-WEVVVXLNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 990 nM (pChEMBL 6)
Descriptors: MW 400.31, ALogP 5.73, HBA 3, HBD 2, PSA 68.01, QED 0.54
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2n1
InChIKey: QWBGUUIKLHWMCZ-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 376.42, ALogP 4.33, HBA 5, HBD 2, PSA 111.15, QED 0.38
Compound (SMILES): COc1cc(OC)cc(C(=O)N[C@@H]2CCN(C/C=C/c3ccccc3)C2)c1
InChIKey: KUNCBFJZBIUEAD-MBNRZODZSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of MCH-mediated calcium release by CHO cells expressing human MCH-R1
Measurement: IC50 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 366.46, ALogP 3.22, HBA 4, HBD 1, PSA 50.8, QED 0.82
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(OC(C)=O)cc3)ccc2n1
InChIKey: WWSIPZXUTDAWFG-KPKJPENVSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 630 nM (pChEMBL 6.199999809265137)
Descriptors: MW 389.46, ALogP 4.35, HBA 5, HBD 2, PSA 94.31, QED 0.37
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2n1
InChIKey: WSVARIJKECKDOY-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 365.86, ALogP 5.07, HBA 3, HBD 2, PSA 68.01, QED 0.62
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2n1
InChIKey: IQXNLUKIYIWOQD-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 349.41, ALogP 4.56, HBA 3, HBD 2, PSA 68.01, QED 0.66
Compound (SMILES): CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CO)c4)C[C@@H]3C2)CC1
InChIKey: RKGAKQIZJDEHFX-QFWOEDSFSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 509.65, ALogP 4.29, HBA 5, HBD 2, PSA 58.63, QED 0.47
Compound (SMILES): CN1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1
InChIKey: WMQCKWJLBLXVCD-QFWOEDSFSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 504.63, ALogP 4.67, HBA 5, HBD 1, PSA 62.19, QED 0.51
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc2n1
InChIKey: KBOMELJTXUUCNC-NTEUORMPSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 910 nM (pChEMBL 6.039999961853027)
Descriptors: MW 387.53, ALogP 5.72, HBA 3, HBD 2, PSA 68.01, QED 0.55
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(SC)cc3)ccc2n1
InChIKey: JNONJSIKAPDJDJ-KPKJPENVSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 377.51, ALogP 5.14, HBA 4, HBD 2, PSA 68.01, QED 0.46
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(-c4ccccc4)cc3)ccc2n1
InChIKey: ZKWRWHQTLOZXRQ-LFIBNONCSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 118 nM (pChEMBL 6.929999828338623)
Descriptors: MW 407.52, ALogP 6.09, HBA 3, HBD 2, PSA 68.01, QED 0.38
Compound (SMILES): CN1CCN(CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1
InChIKey: XACSERVYMUAAIG-QFWOEDSFSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Binding activity against human MCH-R1
Measurement: Ki = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 537.54, ALogP 5.7, HBA 5, HBD 1, PSA 62.19, QED 0.42
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(C)C)cc3)ccc2n1
InChIKey: XVZPYZCIHYPCMH-MDWZMJQESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 520 nM (pChEMBL 6.28000020980835)
Descriptors: MW 373.5, ALogP 5.54, HBA 3, HBD 2, PSA 68.01, QED 0.56
Compound (SMILES): CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(F)cc3)CC1=O)C2
InChIKey: XWZAXTGZXFCRFU-SANMLTNESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of binding to MCH-R1
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 437.6, ALogP 3.91, HBA 3, HBD 0, PSA 26.79, QED 0.63
Compound (SMILES): CC(C)Nc1nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc2n1C
InChIKey: YFLYQHULFMRTHA-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Inhibition of MCH-mediated calcium influx into MCH-R1 expressing cells
Measurement: IC50 = 101 nM (pChEMBL 7)
Descriptors: MW 406.41, ALogP 4.43, HBA 5, HBD 2, PSA 68.18, QED 0.64
Compound (SMILES): O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1
InChIKey: KMIVFOQFRIPVDV-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Binding activity against human MCH-R1
Measurement: Ki = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 362.45, ALogP 4.37, HBA 2, HBD 1, PSA 32.34, QED 0.75
Compound (SMILES): CCCN(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: BSJZAUQNVKQFNB-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 415.46, ALogP 5.67, HBA 3, HBD 1, PSA 45.23, QED 0.54
Compound (SMILES): CC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: MPLZJJHETRKHRI-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 415.46, ALogP 5.67, HBA 3, HBD 1, PSA 45.23, QED 0.56
Compound (SMILES): CCCc1cc(N2CCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: OUEVVRHUJPXHLA-KPKJPENVSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 439.48, ALogP 6.07, HBA 3, HBD 1, PSA 45.23, QED 0.47
Compound (SMILES): CCCc1cc(N2CCCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: XEVASSAWJSQJLJ-MDWZMJQESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 453.51, ALogP 6.46, HBA 3, HBD 1, PSA 45.23, QED 0.44
Compound (SMILES): CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(Cl)cc3)CC1=O)C2
InChIKey: GIRWMBVCAVUZRN-SANMLTNESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 3.3 nM (pChEMBL 8.479999542236328)
Descriptors: MW 454.06, ALogP 4.43, HBA 3, HBD 0, PSA 26.79, QED 0.59
Compound (SMILES): CNc1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: VXMXEDWIHDHRKH-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 373.38, ALogP 4.87, HBA 3, HBD 2, PSA 54.02, QED 0.67
Compound (SMILES): CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCCC3)CC1=O)C2
InChIKey: GMYLXTMMWJHQOZ-SANMLTNESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 32 nM (pChEMBL 7.5)
Descriptors: MW 425.66, ALogP 4.5, HBA 3, HBD 0, PSA 26.79, QED 0.61
Compound (SMILES): O=C(NC1CCN(C2CCc3cc4c(cc32)OCO4)CC1)c1cc(=O)c2cc(F)ccc2o1
InChIKey: BMVVLXNEZZJMOQ-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates
Measurement: IC50 = 9310 nM (pChEMBL 5.03000020980835)
Descriptors: MW 450.47, ALogP 3.54, HBA 6, HBD 1, PSA 81.01, QED 0.66
Compound (SMILES): O=C(NC1CCN(C2CCc3c2ccc2c3OCO2)CC1)c1cc(=O)c2cc(F)ccc2o1
InChIKey: HBSVFKQUQSKJAY-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 450.47, ALogP 3.54, HBA 6, HBD 1, PSA 81.01, QED 0.66
Compound (SMILES): CN(c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1)C1CCCC1
InChIKey: KBHLPVBYLGCCML-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 441.5, ALogP 6.2, HBA 3, HBD 1, PSA 45.23, QED 0.5
Compound (SMILES): CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3cccc(C(F)(F)F)c3)CC1=O)C2
InChIKey: MMYOYIKJFUXCPY-SANMLTNESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 487.61, ALogP 4.79, HBA 3, HBD 0, PSA 26.79, QED 0.54
Compound (SMILES): CC(=O)N1CCN(Cc2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(-c4ccc(F)cc4)cn2)C3)CC1
InChIKey: RCBBASWGELNHIE-NDEPHWFRSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 302 nM (pChEMBL 6.519999980926514)
Descriptors: MW 500.62, ALogP 4.18, HBA 4, HBD 0, PSA 56.75, QED 0.53
Compound (SMILES): O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(Cn3ccnc3)ccc2C1
InChIKey: GCYKFPCFTPBZFL-VWLOTQADSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 52000 nM (pChEMBL 4.28000020980835)
Descriptors: MW 432.54, ALogP 3.31, HBA 4, HBD 0, PSA 41.37, QED 0.6
Compound (SMILES): CN(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: QCKPBMHWCHELBM-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 387.41, ALogP 4.89, HBA 3, HBD 1, PSA 45.23, QED 0.68
Compound (SMILES): CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2
InChIKey: OEUKDGTYEZUHLE-KYJUHHDHSA-N
Target: 5-hydroxytryptamine receptor 2C (SINGLE PROTEIN), Homo sapiens
UniProt: P28335
Assay: Inhibition of binding to serotonin receptor 5HT2C
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 513.66, ALogP 5.17, HBA 3, HBD 0, PSA 43.86, QED 0.46
Compound (SMILES): O=C(NC1CCN(C2CCc3cc4oc(=O)[nH]c4cc32)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: ZZUJEMNDSKZYLV-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 463.47, ALogP 3.25, HBA 6, HBD 2, PSA 108.55, QED 0.48
Compound (SMILES): CC1CCCN1c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: KHHJLWFCLVTIRA-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 427.47, ALogP 5.81, HBA 3, HBD 1, PSA 45.23, QED 0.56
Compound (SMILES): CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1
InChIKey: VRLORRTWDYVKNM-NDEPHWFRSA-N
Target: 5-hydroxytryptamine receptor 2C (SINGLE PROTEIN), Homo sapiens
UniProt: P28335
Assay: Inhibition of binding to serotonin receptor 5HT2C
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 506.64, ALogP 4.35, HBA 4, HBD 0, PSA 57.69, QED 0.52
Compound (SMILES): CCN(CC)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1
InChIKey: DBNSOTVRKSIYII-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 463.56, ALogP 3.81, HBA 5, HBD 1, PSA 70.47, QED 0.52
Compound (SMILES): O=C1COc2cc3c(cc2N1)C(N1CCC(NC(=O)c2cc(=O)c4ccc(F)cc4o2)CC1)CC3
InChIKey: YNFBUKHNBHSFFK-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 477.49, ALogP 3.14, HBA 6, HBD 2, PSA 100.88, QED 0.6
Compound (SMILES): CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccncc3)cc1)C2
InChIKey: ADTVOYHHLZXZMB-VWLOTQADSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 2480 nM (pChEMBL 5.610000133514404)
Descriptors: MW 399.54, ALogP 4.44, HBA 3, HBD 0, PSA 36.44, QED 0.64
Compound (SMILES): CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCc2cc(CN3CCNC(=O)C3)ccc2C1
InChIKey: ISKBVCXTQANZNE-MHZLTWQESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 145 nM (pChEMBL 6.840000152587891)
Descriptors: MW 471.58, ALogP 4.05, HBA 3, HBD 1, PSA 52.65, QED 0.61
Compound (SMILES): CCc1nc2ccc(CN3CCC(NC(=O)c4cc(=O)c5ccc(F)cc5o4)CC3)cc2o1
InChIKey: PJPINZQDGHCYRP-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 1267 nM (pChEMBL 5.900000095367432)
Descriptors: MW 449.48, ALogP 4.03, HBA 6, HBD 1, PSA 88.58, QED 0.49
Compound (SMILES): CN(c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1)C1CCCCC1
InChIKey: JJTLYFUOOPYTDY-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 1200 nM (pChEMBL 5.920000076293945)
Descriptors: MW 455.52, ALogP 6.59, HBA 3, HBD 1, PSA 45.23, QED 0.46
Compound (SMILES): CN(CC(=O)N(C)C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2
InChIKey: JWTBNTCDSNQIDW-NDEPHWFRSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of binding to hERG
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 487.62, ALogP 4.64, HBA 3, HBD 0, PSA 43.86, QED 0.49
Compound (SMILES): O=C1CN(CCc2ccccc2)CCN1CCc1ccc(CN2CCCCC2)cc1
InChIKey: HGDHOXOLIYZFJB-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 405.59, ALogP 3.6, HBA 3, HBD 0, PSA 26.79, QED 0.67
Compound (SMILES): CCc1nc2cc(CN3CCC(NC(=O)c4cc(=O)c5ccc(F)cc5o4)CC3)ccc2o1
InChIKey: QFXCDRSZIXBCQY-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 449.48, ALogP 4.03, HBA 6, HBD 1, PSA 88.58, QED 0.49
Compound (SMILES): O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCS(=O)(=O)CC3)ccc2C1
InChIKey: PTWGVYYSUNMNEA-SANMLTNESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 94000 nM (pChEMBL 4.03000020980835)
Descriptors: MW 499.65, ALogP 2.3, HBA 5, HBD 0, PSA 60.93, QED 0.61
Compound (SMILES): O=C(Nc1cccc(F)c1)c1cc2n(n1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O
InChIKey: MXBZZAGUSBOBTP-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 475.57, ALogP 3.96, HBA 5, HBD 1, PSA 70.47, QED 0.56
Compound (SMILES): O=C(NC1CCN(Cc2ccc3oc(=O)[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: XUBSUXYAIPDFRU-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 437.43, ALogP 2.76, HBA 6, HBD 2, PSA 108.55, QED 0.51
Compound (SMILES): O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCC3)ccc2c1
InChIKey: KENHPAGHHILAQR-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 399.42, ALogP 5.04, HBA 3, HBD 1, PSA 45.23, QED 0.65
Compound (SMILES): CC(=O)N1CCN(Cc2ccc3c(c2)CC[C@H](N2CCN(CCc4ccc(F)cc4)CC2=O)C3)CC1
InChIKey: LMCXKYFBYKWNPT-NDEPHWFRSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 16000 nM (pChEMBL 4.800000190734863)
Descriptors: MW 492.64, ALogP 2.73, HBA 4, HBD 0, PSA 47.1, QED 0.62
Compound (SMILES): CN(C(=O)c1cc2n(n1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O)c1ccc(F)cc1
InChIKey: CGLCAAPOXYFZGX-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 5294 nM (pChEMBL 5.28000020980835)
Descriptors: MW 489.6, ALogP 3.98, HBA 5, HBD 0, PSA 61.68, QED 0.5
Compound (SMILES): CC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIKey: KMKPVJDUSNIAQE-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 427.47, ALogP 5.67, HBA 3, HBD 1, PSA 45.23, QED 0.57
Compound (SMILES): CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)nc1)C2
InChIKey: ONJIDPSNVZIKJS-DEOSSOPVSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of binding to hERG
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 417.53, ALogP 4.58, HBA 3, HBD 0, PSA 36.44, QED 0.61
Compound (SMILES): O=C(NC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: RAUHDNCAWVVITH-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 419.46, ALogP 3.81, HBA 4, HBD 2, PSA 78.34, QED 0.53
Compound (SMILES): COC(=O)C1CCCN1c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: XNPILZWANOBMQM-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 471.48, ALogP 4.97, HBA 5, HBD 1, PSA 71.53, QED 0.51
Compound (SMILES): CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cn3)cc1)C2
InChIKey: DLOFFPHEWSEQCT-DEOSSOPVSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of binding to hERG
Measurement: IC50 = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 433.98, ALogP 5.09, HBA 3, HBD 0, PSA 36.44, QED 0.56
Compound (SMILES): O=C(NC1CCN(Cc2ccc3cc[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: JQTAYQKKSGXRPR-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 419.46, ALogP 3.81, HBA 4, HBD 2, PSA 78.34, QED 0.53
Compound (SMILES): O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCC(c4ccccc4)C3)ccc2c1
InChIKey: BYTPBLLHHBOSEQ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 1770 nM (pChEMBL 5.75)
Descriptors: MW 489.54, ALogP 6.82, HBA 3, HBD 1, PSA 45.23, QED 0.32
Compound (SMILES): CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccn3)cc1)C2
InChIKey: NMZKSRUUENLYFV-DEOSSOPVSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of binding to hERG
Measurement: IC50 = 30000 nM (pChEMBL 4.519999980926514)
Descriptors: MW 399.54, ALogP 4.44, HBA 3, HBD 0, PSA 36.44, QED 0.64
Compound (SMILES): O=C(NC1CCN(Cc2ccc3occc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: INKLXDAZBDXKOH-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 420.44, ALogP 4.07, HBA 5, HBD 1, PSA 75.69, QED 0.54
Compound (SMILES): O=C(NC1CCN(Cc2ccc3ncoc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: OCMCRRBEHXHBIV-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 421.43, ALogP 3.47, HBA 6, HBD 1, PSA 88.58, QED 0.54
Compound (SMILES): NC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIKey: NCWVUFUETBHBEA-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 428.46, ALogP 4.36, HBA 4, HBD 2, PSA 71.25, QED 0.63
Compound (SMILES): O=C(NC1CCN(Cc2ccc3sccc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: SZJOZHJPOSHWMC-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 436.51, ALogP 4.54, HBA 5, HBD 1, PSA 62.55, QED 0.51
Compound (SMILES): CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)cn1)C2
InChIKey: JGTFYTXGSPCVDN-DEOSSOPVSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of binding to hERG
Measurement: IC50 = 2600 nM (pChEMBL 5.579999923706055)
Descriptors: MW 433.98, ALogP 5.09, HBA 3, HBD 0, PSA 36.44, QED 0.56
Compound (SMILES): CC(=O)NC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIKey: HAEBQPAGVYKXCG-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 470.5, ALogP 4.54, HBA 4, HBD 2, PSA 74.33, QED 0.55
Compound (SMILES): O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCCC3)ccc2c1
InChIKey: CNVFIVMZCNRFEZ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 427.47, ALogP 5.82, HBA 3, HBD 1, PSA 45.23, QED 0.56
Compound (SMILES): CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(Cl)cc3)nc1)C2
InChIKey: NYUKWJXYAADYOO-DEOSSOPVSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of binding to hERG
Measurement: IC50 = 5100 nM (pChEMBL 5.289999961853027)
Descriptors: MW 433.98, ALogP 5.09, HBA 3, HBD 0, PSA 36.44, QED 0.56
Compound (SMILES): O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCOCC3)ccc2C1
InChIKey: VJJSHVKIAZAPRG-SANMLTNESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 15000 nM (pChEMBL 4.820000171661377)
Descriptors: MW 451.59, ALogP 2.9, HBA 4, HBD 0, PSA 36.02, QED 0.68
Compound (SMILES): CS(=O)(=O)N1CCN(Cc2ccc3c(c2)CC[C@H](N2CCN(CCc4ccc(F)cc4)CC2=O)C3)CC1
InChIKey: DPEDLVMPSAGFDL-MHZLTWQESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 30000 nM (pChEMBL 4.519999980926514)
Descriptors: MW 528.69, ALogP 2.15, HBA 5, HBD 0, PSA 64.17, QED 0.55
Compound (SMILES): O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCC(NC(=O)c4ccccc4)C3)ccc2c1
InChIKey: WVAQXTJPENWXAK-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 532.57, ALogP 5.83, HBA 4, HBD 2, PSA 74.33, QED 0.31
Compound (SMILES): CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cn1)C2
InChIKey: DHAIYNYURHDUCT-DEOSSOPVSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of binding to hERG
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 417.53, ALogP 4.58, HBA 3, HBD 0, PSA 36.44, QED 0.61
Compound (SMILES): CC(=O)Nc1ccc2c(c1)C(N1CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC1)CC2
InChIKey: PHWDAICGTWFRGW-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates
Measurement: IC50 = 27200 nM (pChEMBL 4.570000171661377)
Descriptors: MW 463.51, ALogP 3.77, HBA 5, HBD 2, PSA 91.65, QED 0.61
Compound (SMILES): CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCS3)CC1=O)C2
InChIKey: JDFGTSZHKOFGPM-UXMRNZNESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 429.67, ALogP 3.82, HBA 4, HBD 0, PSA 26.79, QED 0.63
Compound (SMILES): CC(C)C(=O)NC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIKey: YIMNCYNDKLUSBQ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 498.55, ALogP 5.18, HBA 4, HBD 2, PSA 74.33, QED 0.47
Compound (SMILES): CC(=O)N1CCN(Cc2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(-c4ccc(F)cc4)cc2)C3)CC1
InChIKey: YXGMOLUCRGSUHF-PMERELPUSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 499.63, ALogP 4.79, HBA 3, HBD 0, PSA 43.86, QED 0.51
Compound (SMILES): O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(CN3CCC(C(F)(F)F)CC3)ccc2C1
InChIKey: FKGZUCNTGAPMBO-MHZLTWQESA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 8700 nM (pChEMBL 5.059999942779541)
Descriptors: MW 517.61, ALogP 4.84, HBA 3, HBD 0, PSA 26.79, QED 0.51
Compound (SMILES): O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1
InChIKey: ZAYSVOFFPKLBAE-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 453.51, ALogP 6.2, HBA 3, HBD 1, PSA 45.23, QED 0.5
Compound (SMILES): CN(C)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1
InChIKey: XNTYBRAFFZQBDC-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 82 nM (pChEMBL 7.090000152587891)
Descriptors: MW 435.5, ALogP 3.03, HBA 5, HBD 1, PSA 70.47, QED 0.62
Compound (SMILES): Cn1c(=O)ccc2ccc(CN3CCC(NC(=O)c4cc(=O)c5ccc(F)cc5o4)CC3)cc21
InChIKey: ZWAQGKCYZQHRHG-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 461.49, ALogP 3.18, HBA 6, HBD 1, PSA 84.55, QED 0.5
Compound (SMILES): O=C(NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: OKJKIOJUDZFVDL-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 448.45, ALogP 3.43, HBA 6, HBD 1, PSA 92.76, QED 0.48
Compound (SMILES): O=C(NC1CCN(Cc2ccc3oc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: GJAJZGZHVMOVON-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 2010 nM (pChEMBL 5.699999809265137)
Descriptors: MW 438.41, ALogP 3.03, HBA 7, HBD 1, PSA 105.9, QED 0.52
Compound (SMILES): CCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: JSPCAZVSBDYEFS-BJMVGYQFSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 385.39, ALogP 5.05, HBA 3, HBD 2, PSA 68.01, QED 0.62
Compound (SMILES): CC(=O)Nc1cccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)c1
InChIKey: QNCNYSGUYPUZKJ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 437.47, ALogP 3.28, HBA 5, HBD 2, PSA 91.65, QED 0.64
Compound (SMILES): O=C1COc2ccc(CN3CCC(NC(=O)c4cc(=O)c5ccc(F)cc5o4)CC3)cc2N1
InChIKey: GOGGRAWNDKPWNO-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 451.45, ALogP 2.66, HBA 6, HBD 2, PSA 100.88, QED 0.63
Compound (SMILES): CCCc1cc(N)c2cc(NC(=O)NCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: QOFDDZVFIJZRMJ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 402.42, ALogP 5.11, HBA 3, HBD 3, PSA 80.04, QED 0.55
Compound (SMILES): CCCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: FYVMTTJUMRLJMT-KPKJPENVSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 413.44, ALogP 5.83, HBA 3, HBD 2, PSA 68.01, QED 0.5
Compound (SMILES): O=C(NC1CCN(Cc2ccc3ccc(=O)[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1
InChIKey: ZLKBWMPLNFUMFD-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 447.47, ALogP 3.17, HBA 5, HBD 2, PSA 95.41, QED 0.5
Compound (SMILES): CCCc1cc(N)c2cc(NCCCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: WJIUPZOJOQMODR-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 387.45, ALogP 5.83, HBA 3, HBD 2, PSA 50.94, QED 0.5
Compound (SMILES): CC(C)(C)c1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: FOZHABDRGZDSMZ-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 413.44, ALogP 5.79, HBA 3, HBD 2, PSA 68.01, QED 0.53
Compound (SMILES): CNC(=O)NC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIKey: ICPOECOBUQHLDO-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 485.51, ALogP 4.33, HBA 4, HBD 3, PSA 86.36, QED 0.49
Compound (SMILES): CC(C)(C)Cc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1
InChIKey: VMAKKIUPVLGJGU-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 427.47, ALogP 6.08, HBA 3, HBD 2, PSA 68.01, QED 0.5
Compound (SMILES): O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCC(NS(=O)(=O)O)C3)ccc2c1
InChIKey: VGOMLVGCPHXARJ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 508.52, ALogP 3.8, HBA 5, HBD 3, PSA 111.63, QED 0.42
Compound (SMILES): Nc1cc(C2CCC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12
InChIKey: DZBRSGDTRPYNOH-IZZDOVSWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 411.43, ALogP 5.76, HBA 3, HBD 2, PSA 68.01, QED 0.54
Compound (SMILES): O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CC4CCC3C4)ccc2c1
InChIKey: VMYOYPJHFIMQIY-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 439.48, ALogP 5.81, HBA 3, HBD 1, PSA 45.23, QED 0.55
Compound (SMILES): Nc1cc(C2CCCC2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12
InChIKey: JXCIBNRWOQTDEP-KPKJPENVSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
Measurement: EC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 425.45, ALogP 6.15, HBA 3, HBD 2, PSA 68.01, QED 0.49
Compound (SMILES): O=C1c2cc(CCc3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1
InChIKey: KGHVDSQXDOYOLW-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 459.61, ALogP 5.1, HBA 3, HBD 0, PSA 28.48, QED 0.47
Compound (SMILES): O=C1c2cc(-c3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1
InChIKey: QOKHHPNTBNJONY-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 431.56, ALogP 4.98, HBA 3, HBD 0, PSA 28.48, QED 0.55
Compound (SMILES): CC(=O)N1CCN(Cc2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(-c4ccccn4)cc2)C3)CC1
InChIKey: NNPLHKJFMDINKF-NDEPHWFRSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Functional antagonism of MCH-R1 expressed in HEK293 cells
Measurement: Ki = 727 nM (pChEMBL 6.139999866485596)
Descriptors: MW 482.63, ALogP 4.04, HBA 4, HBD 0, PSA 56.75, QED 0.55
Compound (SMILES): O=C(CCCCCCCCCCCCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc([N+]34CCC(CC3)CC4)ccc2c1
InChIKey: DHGGHSPKBKPGOG-UHFFFAOYSA-O
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97639
Assay: Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
Measurement: EC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 594.79, ALogP 9.85, HBA 2, HBD 1, PSA 41.99, QED 0.14