lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccccc2Cl)cc1
InChIKey: BGBREARCDHTETM-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 509.05, ALogP 5.05, HBA 5, HBD 1, PSA 60.03, QED 0.41
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccccc2C(F)(F)F)cc1
InChIKey: RDXRUWJACUMNME-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 542.6, ALogP 5.42, HBA 5, HBD 1, PSA 60.03, QED 0.37
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccccn2)cc1
InChIKey: HENMEGLHQXXFOB-LADGPHEKSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 475.59, ALogP 3.8, HBA 6, HBD 1, PSA 72.92, QED 0.48
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccnc2)cc1
InChIKey: OGJORPHKCUQQGQ-UKILVPOCSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 475.59, ALogP 3.8, HBA 6, HBD 1, PSA 72.92, QED 0.48
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccncc2)cc1
InChIKey: LIJHRMJRTIVIJT-UKILVPOCSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 475.59, ALogP 3.8, HBA 6, HBD 1, PSA 72.92, QED 0.48
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC
InChIKey: BFJYFZCAHAPDKV-RPLLCQBOSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 522.09, ALogP 5.11, HBA 5, HBD 1, PSA 54.04, QED 0.4
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3)C2)cc1OC
InChIKey: RONYDNZYSWSNJS-UKILVPOCSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 479.02, ALogP 5.05, HBA 4, HBD 1, PSA 50.8, QED 0.47
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1OC
InChIKey: LCKMFSRIRZPXAK-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 513.47, ALogP 5.7, HBA 4, HBD 1, PSA 50.8, QED 0.4
Compound (SMILES): COc1cccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)c1
InChIKey: ZKVNMGGIYYBIAO-JYFHCDHNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 509.05, ALogP 5.05, HBA 5, HBD 1, PSA 60.03, QED 0.41
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1OC
InChIKey: OHNGJFIXSGSZJL-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 2600 nM (pChEMBL 5.579999923706055)
Descriptors: MW 563.02, ALogP 5.94, HBA 5, HBD 1, PSA 60.03, QED 0.33
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3OC)C2)cc1OC
InChIKey: MSCPVCCJMDVFEH-DHLKQENFSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 3180 nM (pChEMBL 5.5)
Descriptors: MW 509.05, ALogP 5.05, HBA 5, HBD 1, PSA 60.03, QED 0.41
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3cccs3)C2)cc1OC
InChIKey: QHKXPPXPCWSGPB-UNMCSNQZSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 3200 nM (pChEMBL 5.5)
Descriptors: MW 485.05, ALogP 5.11, HBA 5, HBD 1, PSA 50.8, QED 0.46
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccsc3)C2)cc1OC
InChIKey: ZEBAOQWGZFPDEE-JTHBVZDNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 4800 nM (pChEMBL 5.320000171661377)
Descriptors: MW 485.05, ALogP 5.11, HBA 5, HBD 1, PSA 50.8, QED 0.46
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccoc3)C2)cc1OC
InChIKey: BEKVHVIWERUWGC-JTHBVZDNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 468.98, ALogP 4.64, HBA 5, HBD 1, PSA 63.94, QED 0.5
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccco3)C2)cc1OC
InChIKey: AIQNUPQVDMPEKY-UNMCSNQZSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 468.98, ALogP 4.64, HBA 5, HBD 1, PSA 63.94, QED 0.5
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3cccc(C(N)=O)c3)nc3ccccc32)n1
InChIKey: FZSPKQZLGNEFOS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 3900 nM (pChEMBL 5.409999847412109)
Descriptors: MW 360.38, ALogP 1.94, HBA 8, HBD 3, PSA 137.63, QED 0.51
Compound (SMILES): CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
InChIKey: LYZVYVLSMGRTPB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 389.42, ALogP 2.6, HBA 8, HBD 4, PSA 135.67, QED 0.42
Compound (SMILES): CC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
InChIKey: XOVOMIOHGLZGJN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 374.41, ALogP 2.8, HBA 8, HBD 3, PSA 123.64, QED 0.5
Compound (SMILES): CC(=O)Nc1cccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)c1
InChIKey: BZADPNSXDHLYCT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 374.41, ALogP 2.8, HBA 8, HBD 3, PSA 123.64, QED 0.5
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3ccc4cc[nH]c4c3)nc3ccccc32)n1
InChIKey: BFUAMEMDRSZWDZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 960 nM (pChEMBL 6.019999980926514)
Descriptors: MW 356.39, ALogP 3.33, HBA 7, HBD 3, PSA 110.33, QED 0.46
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3ccc4cn[nH]c4c3)nc3ccccc32)n1
InChIKey: GOVRODSIEWESJN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 357.38, ALogP 2.72, HBA 8, HBD 3, PSA 123.22, QED 0.45
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3ccn(C)n3)nc3ccccc32)n1
InChIKey: YGMCOBDMWUYNPQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 321.35, ALogP 1.58, HBA 9, HBD 2, PSA 112.36, QED 0.59
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3ccn(C(F)F)n3)nc3ccccc32)n1
InChIKey: BWVQDRRLGFHKGN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 6500 nM (pChEMBL 5.190000057220459)
Descriptors: MW 357.33, ALogP 2.44, HBA 9, HBD 2, PSA 112.36, QED 0.58
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3ccon3)nc3ccccc32)n1
InChIKey: RYMLCKLNKBGUNK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 3300 nM (pChEMBL 5.480000019073486)
Descriptors: MW 308.31, ALogP 1.83, HBA 9, HBD 2, PSA 120.57, QED 0.59
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3n[nH]c4ccccc34)nc3ccccc32)n1
InChIKey: FYQVTANPXKLEIP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 357.38, ALogP 2.72, HBA 8, HBD 3, PSA 123.22, QED 0.45
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3cn[nH]c3)nc3ccccc32)n1
InChIKey: BZELSFNDGGUXOC-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 307.32, ALogP 1.57, HBA 8, HBD 3, PSA 123.22, QED 0.52
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3ccnn3C)nc3ccccc32)n1
InChIKey: GFRZOOOOSJLVAN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 321.35, ALogP 1.58, HBA 9, HBD 2, PSA 112.36, QED 0.59
Compound (SMILES): CNC(=O)c1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)o1
InChIKey: LKZTUGNQRBBSGT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 364.37, ALogP 1.8, HBA 9, HBD 3, PSA 136.78, QED 0.5
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3nc[nH]n3)nc3ccccc32)n1
InChIKey: WKVMHMOLOLXPPL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 308.31, ALogP 0.96, HBA 9, HBD 3, PSA 136.11, QED 0.51
Compound (SMILES): Cc1nc(N)nc(-n2c(NC3CCOCC3)nc3ccccc32)n1
InChIKey: RYLZKJJWQWEHSZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 325.38, ALogP 1.69, HBA 8, HBD 2, PSA 103.77, QED 0.75
Compound (SMILES): CNc1nc(C)nc(-n2c(Nc3cc[nH]n3)nc3ccccc32)n1
InChIKey: QVKFMCDAOONIMX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 321.35, ALogP 2.03, HBA 8, HBD 3, PSA 109.23, QED 0.53
Compound (SMILES): Cc1nc(NCC#N)nc(-n2c(Nc3cc[nH]n3)nc3ccccc32)n1
InChIKey: XPLCDRVACNNQQT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 346.36, ALogP 1.92, HBA 9, HBD 3, PSA 133.02, QED 0.47
Compound (SMILES): Cc1nc(NCCC#N)nc(-n2c(Nc3cc[nH]n3)nc3ccccc32)n1
InChIKey: XOMIZGULIHREBM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 360.39, ALogP 2.31, HBA 9, HBD 3, PSA 133.02, QED 0.45
Compound (SMILES): C#CCNc1nc(C)nc(-n2c(Nc3cc[nH]n3)nc3ccccc32)n1
InChIKey: SSYRSGUUTKCTEB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 345.37, ALogP 2.03, HBA 8, HBD 3, PSA 109.23, QED 0.47
Compound (SMILES): Cc1nc(N)nc(-n2c(Nc3cc[nH]n3)nc3cc(F)c(F)cc32)n1
InChIKey: UYGNWAJINJYMSD-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 343.3, ALogP 1.85, HBA 8, HBD 3, PSA 123.22, QED 0.52
Compound (SMILES): S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIKey: PMXJOEXRGXKABC-UHFFFAOYSA-N
Target: Lysine-specific demethylase 4D (SINGLE PROTEIN), Homo sapiens
UniProt: Q6B0I6
Assay: Inhibition of KDM4D (unknown origin) incubated for 60 mins by microplate reader analysis
Measurement: IC50 = 4810 nM (pChEMBL 5.320000171661377)
Descriptors: MW 412.47, ALogP 5.96, HBA 5, HBD 2, PSA 76.12, QED 0.35
Compound (SMILES): O=C(Nc1ccc(Br)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIKey: IZDJBLVUPVPPFN-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: O14920
Assay: Inhibition of TNFalpha-induced IKKbeta mediated NF-kappaB activation in human Pancreatic cancer cells by luciferase reporter gene assay
Measurement: IC50 = 3300 nM (pChEMBL 5.480000019073486)
Descriptors: MW 475.3, ALogP 6.56, HBA 5, HBD 2, PSA 93.19, QED 0.31
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1=O
InChIKey: WVGDGYVOBAQJGF-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 410.86, ALogP 3.23, HBA 4, HBD 1, PSA 78.53, QED 0.72
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CC1
InChIKey: PEPMPSVYDAFJOS-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 430.43, ALogP 4.07, HBA 4, HBD 1, PSA 61.46, QED 0.68
Compound (SMILES): N#Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
InChIKey: GPPCZGLJYWWKQI-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 391.86, ALogP 3.56, HBA 4, HBD 1, PSA 76.02, QED 0.74
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIKey: XDXNXAQKAHUCSV-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P16177
Assay: Binding affinity to rat NK3 receptor
Measurement: Ki = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 362.43, ALogP 3.05, HBA 4, HBD 1, PSA 61.46, QED 0.77
Compound (SMILES): COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIKey: SNAFYGOZWJDFEK-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 7400 nM (pChEMBL 5.130000114440918)
Descriptors: MW 398.49, ALogP 2.6, HBA 5, HBD 1, PSA 78.53, QED 0.71
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](C)C1
InChIKey: QZOZSUVAWOGZQQ-HNNXBMFYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 410.91, ALogP 4.09, HBA 4, HBD 1, PSA 61.46, QED 0.7
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](C)C1
InChIKey: QZOZSUVAWOGZQQ-OAHLLOKOSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 410.91, ALogP 4.09, HBA 4, HBD 1, PSA 61.46, QED 0.7
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1(C)C
InChIKey: OANNATBPNVWBED-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 93 nM (pChEMBL 7.03000020980835)
Descriptors: MW 424.93, ALogP 4.48, HBA 4, HBD 1, PSA 61.46, QED 0.67
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)CC1
InChIKey: SIYPEYKSXSWWFT-UHFFFAOYSA-N
Target: Cytochrome P450 3A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08684
Assay: Inhibition of CYP3A4
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 410.91, ALogP 3.71, HBA 5, HBD 0, PSA 50.6, QED 0.66
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(C)n2)CC1
InChIKey: SFBJQTXZKXTYKE-UHFFFAOYSA-N
Target: Cytochrome P450 3A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08684
Assay: Inhibition of CYP3A4
Measurement: IC50 = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 410.91, ALogP 3.71, HBA 5, HBD 0, PSA 50.6, QED 0.66
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]c2C)CC1
InChIKey: BWZWPNQYJPXCPE-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 409.92, ALogP 4.61, HBA 3, HBD 1, PSA 48.57, QED 0.68
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1
InChIKey: WDOQIKVMBMHLNV-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 363.42, ALogP 3.31, HBA 5, HBD 0, PSA 58.81, QED 0.71
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1
InChIKey: XVJACFQXERAVKG-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 446.43, ALogP 3.95, HBA 5, HBD 1, PSA 70.69, QED 0.64
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1
InChIKey: BTMNKUAAPTWKSB-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 390 nM (pChEMBL 6.409999847412109)
Descriptors: MW 376.46, ALogP 3.36, HBA 4, HBD 1, PSA 61.46, QED 0.76
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(S(C)(=O)=O)cc3)n[nH]2)CC1
InChIKey: RKDHXNYZOAJPAJ-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 440.53, ALogP 2.45, HBA 6, HBD 1, PSA 95.6, QED 0.65
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1
InChIKey: XQGXKJCYVIVNHP-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 208 nM (pChEMBL 6.679999828338623)
Descriptors: MW 387.44, ALogP 2.92, HBA 5, HBD 1, PSA 85.25, QED 0.74
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)CC1
InChIKey: CQQUWJNBSSVPSS-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 205 nM (pChEMBL 6.690000057220459)
Descriptors: MW 431.32, ALogP 4.35, HBA 4, HBD 1, PSA 61.46, QED 0.67
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccn3)n[nH]2)CC1
InChIKey: ANBJLHPYTDNGSV-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 363.42, ALogP 2.44, HBA 5, HBD 1, PSA 74.35, QED 0.77
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1
InChIKey: MXFKJSGGUQBBBR-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 7100 nM (pChEMBL 5.150000095367432)
Descriptors: MW 363.42, ALogP 2.44, HBA 5, HBD 1, PSA 74.35, QED 0.77
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
InChIKey: AAANLCCSPMLHMI-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 7200 nM (pChEMBL 5.139999866485596)
Descriptors: MW 363.42, ALogP 2.44, HBA 5, HBD 1, PSA 74.35, QED 0.77
Compound (SMILES): COc1ccccc1N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1
InChIKey: PMLBATLYVMNVGV-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 368.48, ALogP 3.43, HBA 4, HBD 1, PSA 61.46, QED 0.9
Compound (SMILES): O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2O)CC1
InChIKey: VZJITQSDNACZHM-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 382.85, ALogP 3.4, HBA 4, HBD 2, PSA 72.46, QED 0.73
Compound (SMILES): NC(=O)c1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
InChIKey: YYTFXJCOIXEZTE-UHFFFAOYSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 409.88, ALogP 2.79, HBA 4, HBD 2, PSA 95.32, QED 0.69
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](C(C)(C)C)C2)cc1OC
InChIKey: WSUPVZFUORSXHP-UNMCSNQZSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 459.03, ALogP 4.92, HBA 4, HBD 1, PSA 50.8, QED 0.61
Compound (SMILES): COc1ccc(CCN2CCC(CNC(=O)c3cccc(Cl)c3)C2)cc1OC
InChIKey: APDQZZKRQKPQDG-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 402.92, ALogP 3.65, HBA 4, HBD 1, PSA 50.8, QED 0.73
Compound (SMILES): COc1ccc([C@H]2CN(Cc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: DGXDAZZWYZDTDW-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 1520 nM (pChEMBL 5.820000171661377)
Descriptors: MW 495.02, ALogP 5.01, HBA 5, HBD 1, PSA 60.03, QED 0.45
Compound (SMILES): COc1ccc([C@H]2CN(CCCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: SCBFPLDUOJGCDI-RPLLCQBOSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 523.07, ALogP 5.44, HBA 5, HBD 1, PSA 60.03, QED 0.36
Compound (SMILES): COc1ccc([C@H]2CN(CCCCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: KUNKHTFNDVNYBY-LBNVMWSVSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 537.1, ALogP 5.83, HBA 5, HBD 1, PSA 60.03, QED 0.29
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccccc3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: XVZKTEWBPLMNOV-JYFHCDHNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 2050 nM (pChEMBL 5.690000057220459)
Descriptors: MW 448.99, ALogP 5.04, HBA 3, HBD 1, PSA 41.57, QED 0.52
Compound (SMILES): COc1ccc([C@H]2CN(CCc3cccc(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: BHEGDYSAYYZJGP-WNCULLNHSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 479.02, ALogP 5.05, HBA 4, HBD 1, PSA 50.8, QED 0.47
Compound (SMILES): COc1ccc(CCN2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(OC)cc3)C2)cc1
InChIKey: VSACRBUHJYUONF-WNCULLNHSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 840 nM (pChEMBL 6.079999923706055)
Descriptors: MW 479.02, ALogP 5.05, HBA 4, HBD 1, PSA 50.8, QED 0.47
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: JAEIICRRPXHLMA-BKMJKUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 483.44, ALogP 5.69, HBA 3, HBD 1, PSA 41.57, QED 0.45
Compound (SMILES): COc1ccc([C@H]2CN(CCC3CCOCC3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: YVRYKIJSSLIOEB-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 457.01, ALogP 4.61, HBA 4, HBD 1, PSA 50.8, QED 0.63
Compound (SMILES): COc1ccc([C@H]2CN(CCCC3CCOCC3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: IAYUKZQVIYCMCL-JYFHCDHNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 471.04, ALogP 5, HBA 4, HBD 1, PSA 50.8, QED 0.56
Compound (SMILES): COc1ccc([C@H]2CN(CCCC3CCNCC3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: XYGRNQZFVPWKIM-JYFHCDHNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 1520 nM (pChEMBL 5.820000171661377)
Descriptors: MW 470.06, ALogP 4.57, HBA 4, HBD 2, PSA 53.6, QED 0.56
Compound (SMILES): COc1ccc([C@H]2CN(CCCN3CCOCC3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1
InChIKey: HYPZMLHMCURBSV-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 2620 nM (pChEMBL 5.579999923706055)
Descriptors: MW 472.03, ALogP 3.52, HBA 5, HBD 1, PSA 54.04, QED 0.61
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)Cc2cccc(Cl)c2)cc1
InChIKey: CJTIPMLCVLLJIS-RPLLCQBOSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 523.07, ALogP 4.98, HBA 5, HBD 1, PSA 60.03, QED 0.38
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2NC(=O)c2cccc(Cl)c2)cc1
InChIKey: LRZQYQLILLTYGS-RPBOFIJWSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 495.02, ALogP 4.81, HBA 5, HBD 1, PSA 60.03, QED 0.46
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: GXZNBYLIQYWZLV-BKMJKUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 509.05, ALogP 5.65, HBA 5, HBD 1, PSA 60.03, QED 0.38
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)N(C)c2cccc(Cl)c2)cc1
InChIKey: VODDIVRAKXDCSW-WNCULLNHSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 523.07, ALogP 5.68, HBA 5, HBD 0, PSA 51.24, QED 0.34
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)NCc2cccc(Cl)c2)cc1
InChIKey: RZFIMUGJIHXZIF-RPLLCQBOSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 523.07, ALogP 5.33, HBA 5, HBD 1, PSA 60.03, QED 0.37
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CCNC(=O)c2cccc(Cl)c2)cc1
InChIKey: GGPDSNHLDADOIF-RPLLCQBOSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 523.07, ALogP 5.44, HBA 5, HBD 1, PSA 60.03, QED 0.36
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CCCNC(=O)c2cccc(Cl)c2)cc1
InChIKey: IJZXDBMVGXKQFO-LBNVMWSVSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 4600 nM (pChEMBL 5.340000152587891)
Descriptors: MW 537.1, ALogP 5.83, HBA 5, HBD 1, PSA 60.03, QED 0.29
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNCc2cccc(Cl)c2)cc1
InChIKey: MGNBRKYEFDXNSP-RPLLCQBOSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 495.06, ALogP 5.41, HBA 5, HBD 1, PSA 42.96, QED 0.39
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: JPWYVAROSPOSCT-BKMJKUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 524.06, ALogP 5.45, HBA 5, HBD 2, PSA 72.06, QED 0.37
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIKey: XSXYFSJDJAYGID-BKMJKUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 545.1, ALogP 4.6, HBA 6, HBD 1, PSA 77.1, QED 0.38
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2Cc2nc3ccc(Cl)cc3[nH]2)cc1
InChIKey: SPZVGUOPAIQFIW-XUZZJYLKSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 506.05, ALogP 5.74, HBA 5, HBD 1, PSA 59.61, QED 0.31
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2nc3ccc(Cl)cc3[nH]2)cc1
InChIKey: LLWKBGRAWPNWFD-WIOPSUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 520.07, ALogP 6.13, HBA 5, HBD 1, PSA 59.61, QED 0.27
Compound (SMILES): COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2cc3ccc(Cl)cc3[nH]2)cc1
InChIKey: DYAJAGSJIXWNAW-RBJSKKJNSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 3120 nM (pChEMBL 5.510000228881836)
Descriptors: MW 519.09, ALogP 6.74, HBA 4, HBD 1, PSA 46.72, QED 0.25
Compound (SMILES): COc1ccc([C@H]2CN(CCCC3CCOCC3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: IHNSUBDSHNRLFA-BKMJKUGQSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 471.04, ALogP 5.6, HBA 4, HBD 1, PSA 50.8, QED 0.52
Compound (SMILES): COc1ccc([C@H]2CN(CCC3CCOCC3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: KGFPROOGUUWDFD-SQJMNOBHSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 457.01, ALogP 5.21, HBA 4, HBD 1, PSA 50.8, QED 0.59
Compound (SMILES): COc1ccc([C@H]2CN(CCC3CCS(=O)(=O)CC3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: CYYAXTCZGPRATM-SQJMNOBHSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 505.08, ALogP 4.61, HBA 5, HBD 1, PSA 75.71, QED 0.57
Compound (SMILES): COc1ccc([C@H]2CN(CCC3(O)CCOCC3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: OLINDOIRFAZHRH-GBXCKJPGSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 473.01, ALogP 4.32, HBA 5, HBD 2, PSA 71.03, QED 0.6
Compound (SMILES): COc1ccc([C@H]2CN(CCCN(C)S(C)(=O)=O)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: KWOZNWZEDSFXDB-WMZHIEFXSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 494.06, ALogP 3.67, HBA 5, HBD 1, PSA 78.95, QED 0.55
Compound (SMILES): COc1ccc([C@H]2CN(CCCN(C)S(=O)(=O)c3ccccc3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: TWNPKIQHYYMCGF-NEKDWFFYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 556.13, ALogP 5.1, HBA 5, HBD 1, PSA 78.95, QED 0.36
Compound (SMILES): COc1ccc([C@H]2CN(CCCN3CCCC3=O)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: LXUYAULCTIKKQB-GBXCKJPGSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Antagonist activity at MCHR1 by aequorin bioluminescence assay
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 470.01, ALogP 4.41, HBA 4, HBD 1, PSA 61.88, QED 0.59
Compound (SMILES): CCN(CC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C
InChIKey: NFUGMSLRPOAPFB-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 7700 nM (pChEMBL 5.110000133514404)
Descriptors: MW 352.48, ALogP 3.71, HBA 5, HBD 0, PSA 43.06, QED 0.72
Compound (SMILES): CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C
InChIKey: RXFHTXAPXGDKTG-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 380.54, ALogP 4.49, HBA 5, HBD 0, PSA 43.06, QED 0.63
Compound (SMILES): CCCCN(CCCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C
InChIKey: VQGKPPASWGXVBK-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 970 nM (pChEMBL 6.010000228881836)
Descriptors: MW 408.59, ALogP 5.27, HBA 5, HBD 0, PSA 43.06, QED 0.51
Compound (SMILES): Cc1cc(C)c(-c2cn(C)c3nc(N(CC4CC4)CC4CC4)n(C)c(=O)c23)c(C)c1
InChIKey: WNKSDBUMELEBBP-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 404.56, ALogP 4.49, HBA 5, HBD 0, PSA 43.06, QED 0.61
Compound (SMILES): Cc1cc(C)c(-c2cn(C)c3nc(N4CCCCC4)n(C)c(=O)c23)c(C)c1
InChIKey: JKDYFLMNAAJCRU-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 3800 nM (pChEMBL 5.420000076293945)
Descriptors: MW 364.49, ALogP 3.85, HBA 5, HBD 0, PSA 43.06, QED 0.69
Compound (SMILES): CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)c(C)n2C)c(=O)n1C
InChIKey: YJJWTYBCQTVPNB-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 394.56, ALogP 4.8, HBA 5, HBD 0, PSA 43.06, QED 0.6
Compound (SMILES): CCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)c(C)n2C)c(=O)n1C
InChIKey: UDJXZALLWKIJIJ-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 3300 nM (pChEMBL 5.480000019073486)
Descriptors: MW 380.54, ALogP 4.49, HBA 5, HBD 0, PSA 43.06, QED 0.63
Compound (SMILES): CCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)cn2C)c(=O)n1C
InChIKey: LODORRWFKMRTAR-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 366.51, ALogP 4.18, HBA 5, HBD 0, PSA 43.06, QED 0.66
Compound (SMILES): CCCN(CCC)c1nc2c(c(-c3c(OC)cc(OC)cc3OC)cn2C)c(=O)n1C
InChIKey: UBRYABBDPAUKON-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 428.53, ALogP 3.59, HBA 8, HBD 0, PSA 70.75, QED 0.52
Compound (SMILES): CCCN(CCC)c1nc2c(c(-c3ccc(OC)cc3OC)cn2C)c(=O)n1C
InChIKey: IBDZRSYGHGNGFP-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 398.51, ALogP 3.58, HBA 7, HBD 0, PSA 61.52, QED 0.58
Compound (SMILES): CCCN(CCC)c1nc2c(c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cn2C)c(=O)n1C
InChIKey: DZIJEGITCCCWMO-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
Measurement: IC50 = 3000 nM (pChEMBL 5.519999980926514)
Descriptors: MW 474.45, ALogP 5.6, HBA 5, HBD 0, PSA 43.06, QED 0.44
Compound (SMILES): CCCN(CCC)c1nc(Cl)c2c(-c3c(C)cc(C)cc3C)cn(C)c2n1
InChIKey: XCMJHHUJEKGCFX-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Antagonistic activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-stimulated cAMP accumulation
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 384.96, ALogP 5.84, HBA 4, HBD 0, PSA 33.95, QED 0.5
Compound (SMILES): CCCN(CCC)c1nc(O)c2c(-c3c(C)cc(C)cc3C)cn(C)c2n1
InChIKey: RECYFKXNAKRWFR-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Antagonistic activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-stimulated cAMP accumulation
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 366.51, ALogP 4.89, HBA 5, HBD 1, PSA 54.18, QED 0.67
Compound (SMILES): CCCN(CCC)c1nc(OC)c2c(-c3c(C)cc(C)cc3C)cn(C)c2n1
InChIKey: XVBFAODJQBNPHR-UHFFFAOYSA-N
Target: Corticotropin-releasing factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P34998
Assay: Antagonistic activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-stimulated cAMP accumulation
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 380.54, ALogP 5.2, HBA 5, HBD 0, PSA 43.18, QED 0.57
Compound (SMILES): Cc1cc(S(=O)(=O)N(CCC(C)C)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O
InChIKey: NKKHDYJGPIYHBG-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03181
Assay: Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay
Measurement: IC50 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 535.58, ALogP 6.39, HBA 4, HBD 1, PSA 83.91, QED 0.33
Compound (SMILES): CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
InChIKey: FMXAKYUKNGWYKW-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03181
Assay: Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay
Measurement: IC50 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 530.09, ALogP 6.78, HBA 4, HBD 1, PSA 83.91, QED 0.31
Compound (SMILES): CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OCC(=O)O)c(C)c1C
InChIKey: HGCKNDJQWNRSRA-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03181
Assay: Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay
Measurement: IC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 516.06, ALogP 6.39, HBA 4, HBD 1, PSA 83.91, QED 0.34
Compound (SMILES): CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(CC)C(=O)O)c(C)c1C
InChIKey: DBXQFQRUXGQRKN-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03181
Assay: Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 544.11, ALogP 7.17, HBA 4, HBD 1, PSA 83.91, QED 0.28
Compound (SMILES): CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OC(CCC)C(=O)O)c(C)c1C
InChIKey: TVYFEFQAQHPRJD-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03181
Assay: Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 558.14, ALogP 7.56, HBA 4, HBD 1, PSA 83.91, QED 0.25
Compound (SMILES): CCCCC(Oc1ccc(S(=O)(=O)N(CCCC)c2cccc(-c3ccc(Cl)cc3)c2C)c(C)c1C)C(=O)O
InChIKey: GLHMAPVHIXHAJJ-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03181
Assay: Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 572.17, ALogP 7.95, HBA 4, HBD 1, PSA 83.91, QED 0.22