lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Clc1ccccc1CC(Cc1ccc(-c2ccccc2)cc1)n1ccnc1
InChIKey: IKHOVTYQYZIIMZ-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 1090 nM (pChEMBL 5.960000038146973)
Descriptors: MW 372.9, ALogP 6.23, HBA 2, HBD 0, PSA 17.82, QED 0.39
Compound (SMILES): Fc1ccccc1CC(Cc1ccc(-c2ccccc2)cc1)n1ccnc1
InChIKey: FHSOIRBUWDZNNR-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 1370 nM (pChEMBL 5.860000133514404)
Descriptors: MW 356.44, ALogP 5.72, HBA 2, HBD 0, PSA 17.82, QED 0.43
Compound (SMILES): Cc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1
InChIKey: NUNGTNMUNRDUFU-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 1320 nM (pChEMBL 5.880000114440918)
Descriptors: MW 352.48, ALogP 5.89, HBA 2, HBD 0, PSA 17.82, QED 0.42
Compound (SMILES): Fc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1
InChIKey: WSNFIUQCYHDWFF-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 356.44, ALogP 5.72, HBA 2, HBD 0, PSA 17.82, QED 0.43
Compound (SMILES): O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12
InChIKey: CIDCSEGUDSXHBN-UHFFFAOYSA-N
Target: 1-deoxy-D-xylulose-5-phosphate synthase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WNS3
Assay: Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli
Measurement: IC50 = 71100 nM (pChEMBL 4.150000095367432)
Descriptors: MW 369.35, ALogP 4.3, HBA 3, HBD 1, PSA 50.16, QED 0.59
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1
InChIKey: HDARYIWAGLMUDF-WEVVVXLNSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 279.34, ALogP 4.37, HBA 3, HBD 1, PSA 36.61, QED 0.77
Compound (SMILES): Cc1ccc2oc(/C=C/c3ccc(N(C)C)cc3)cc2c1
InChIKey: JAVGSSSWPMQNPF-JXMROGBWSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 277.37, ALogP 4.98, HBA 2, HBD 0, PSA 16.38, QED 0.67
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3cc(F)ccc3o2)cc1
InChIKey: VCLLMDCXDPWUSV-WEVVVXLNSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 1980 nM (pChEMBL 5.699999809265137)
Descriptors: MW 281.33, ALogP 4.81, HBA 2, HBD 0, PSA 16.38, QED 0.68
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3cc(Cl)ccc3o2)cc1
InChIKey: DRUGFGZUILKKKR-WEVVVXLNSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 297.79, ALogP 5.32, HBA 2, HBD 0, PSA 16.38, QED 0.65
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3cc(Br)ccc3o2)cc1
InChIKey: PORXXAUKKOVPLM-WEVVVXLNSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 342.24, ALogP 5.43, HBA 2, HBD 0, PSA 16.38, QED 0.63
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3cc(I)ccc3o2)cc1
InChIKey: OZAJRTJLPJEJPT-WEVVVXLNSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 389.24, ALogP 5.27, HBA 2, HBD 0, PSA 16.38, QED 0.57
Compound (SMILES): N#Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1
InChIKey: FVBQJCJEQPAJFJ-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 449.99, ALogP 4.16, HBA 5, HBD 1, PSA 68.06, QED 0.65
Compound (SMILES): Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIKey: CWPKTBMRVATCBL-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P08482
Assay: Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs
Measurement: Ki = 602.56 nM (pChEMBL 6.21999979019165)
Descriptors: MW 404.56, ALogP 3.94, HBA 4, HBD 1, PSA 44.27, QED 0.72
Compound (SMILES): CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIKey: VBYGBDXPFRYDEZ-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 372.47, ALogP 2.59, HBA 5, HBD 1, PSA 70.57, QED 0.9
Compound (SMILES): O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIKey: UTARSHGDECSMJT-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 356 nM (pChEMBL 6.449999809265137)
Descriptors: MW 424.98, ALogP 4.28, HBA 4, HBD 1, PSA 44.27, QED 0.68
Compound (SMILES): Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4c(F)cccc43)CC2)CC1
InChIKey: QKEUCDCLCOAHSK-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 1.06 nM (pChEMBL 8.970000267028809)
Descriptors: MW 422.55, ALogP 4.08, HBA 4, HBD 1, PSA 44.27, QED 0.69
Compound (SMILES): Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)CC1
InChIKey: NEAXZQHSZHLDPB-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 0.85 nM (pChEMBL 9.069999694824219)
Descriptors: MW 422.55, ALogP 4.08, HBA 4, HBD 1, PSA 44.27, QED 0.69
Compound (SMILES): Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccc(F)cc43)CC2)CC1
InChIKey: IVSZXUDAZZHELN-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 0.76 nM (pChEMBL 9.119999885559082)
Descriptors: MW 422.55, ALogP 4.08, HBA 4, HBD 1, PSA 44.27, QED 0.69
Compound (SMILES): O=c1[nH]c2c(F)cccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
InChIKey: YCXFJNGLJADSBQ-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 1.71 nM (pChEMBL 8.770000457763672)
Descriptors: MW 476.52, ALogP 4.79, HBA 4, HBD 1, PSA 44.27, QED 0.55
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCc2ccccc2C1
InChIKey: RFJSMYGMPMODLQ-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 301.43, ALogP 2.58, HBA 2, HBD 0, PSA 26.79, QED 0.86
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIKey: XSCNGNHXXLTFCK-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 393 nM (pChEMBL 6.409999847412109)
Descriptors: MW 343.51, ALogP 3.48, HBA 2, HBD 0, PSA 26.79, QED 0.82
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC(C(=O)c2ccccc2)CC1
InChIKey: KTJPWYMYCZAMHP-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 237 nM (pChEMBL 6.619999885559082)
Descriptors: MW 357.5, ALogP 3.12, HBA 3, HBD 0, PSA 43.86, QED 0.76
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)Cc1ccccc1C2
InChIKey: RURNSGIUVDPHQI-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 355.53, ALogP 3.41, HBA 2, HBD 0, PSA 26.79, QED 0.83
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)(c2ccccc2)CC1
InChIKey: FFLHDIGZHOSZGS-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 405.59, ALogP 4.61, HBA 2, HBD 0, PSA 26.79, QED 0.73
Compound (SMILES): CCOC(Cc1ccc(OCCN2CC=C(c3ccccn3)CC2)cc1)C(=O)O
InChIKey: FVVMWXJZHGRMHE-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 10200 nM (pChEMBL 4.989999771118164)
Descriptors: MW 396.49, ALogP 3.28, HBA 5, HBD 1, PSA 71.89, QED 0.66
Compound (SMILES): CCOC(Cc1ccc(OCCN2CC=C(c3cccs3)CC2)cc1)C(=O)O
InChIKey: ZLTQHVPDFFSZRQ-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 8580 nM (pChEMBL 5.070000171661377)
Descriptors: MW 401.53, ALogP 3.95, HBA 5, HBD 1, PSA 59, QED 0.65
Compound (SMILES): CCOC(Cc1ccc(OCCN2CC=C(c3cnccn3)CC2)cc1)C(=O)O
InChIKey: QFNOFSYQAZZGQX-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 3670 nM (pChEMBL 5.429999828338623)
Descriptors: MW 397.48, ALogP 2.68, HBA 6, HBD 1, PSA 84.78, QED 0.66
Compound (SMILES): CCOC(Cc1ccc(OCCN2CC=C(c3ncccn3)CC2)cc1)C(=O)O
InChIKey: USOMNPQLEODMFJ-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 7670 nM (pChEMBL 5.119999885559082)
Descriptors: MW 397.48, ALogP 2.68, HBA 6, HBD 1, PSA 84.78, QED 0.66
Compound (SMILES): CCOC(Cc1ccc(OCCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O
InChIKey: HLXCLAAZYBEHKD-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 9800 nM (pChEMBL 5.010000228881836)
Descriptors: MW 443.97, ALogP 4.93, HBA 4, HBD 1, PSA 59, QED 0.5
Compound (SMILES): O=C(O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIKey: ONMDNQFBIVCMAS-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 277.28, ALogP 3.88, HBA 2, HBD 3, PSA 73.32, QED 0.49
Compound (SMILES): OCc1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIKey: HGNBRXZQFPKZEQ-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 263.3, ALogP 3.67, HBA 2, HBD 3, PSA 56.25, QED 0.49
Compound (SMILES): Cn1c2ccccc2c2ccc3cc(C(=O)O)c(O)cc3c21
InChIKey: DAYWTAHLWJTMOD-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 291.31, ALogP 3.89, HBA 3, HBD 2, PSA 62.46, QED 0.56
Compound (SMILES): COc1cc2c(ccc3c4ccccc4[nH]c23)cc1C(=O)O
InChIKey: SJXRJPLVIJCTDR-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 291.31, ALogP 4.18, HBA 2, HBD 2, PSA 62.32, QED 0.58
Compound (SMILES): COC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O
InChIKey: XZZXEOXDAIQXTP-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 291.31, ALogP 3.97, HBA 3, HBD 2, PSA 62.32, QED 0.52
Compound (SMILES): Cc1ccc2c(c1)[nH]c1c3cc(O)c(C(=O)O)cc3ccc21
InChIKey: YWJSIKJEEYCAEY-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 870 nM (pChEMBL 6.059999942779541)
Descriptors: MW 291.31, ALogP 4.19, HBA 2, HBD 3, PSA 73.32, QED 0.49
Compound (SMILES): CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)cc1Cl
InChIKey: ATFKUEIQKWUBJO-UHFFFAOYSA-N
Target: Oxytocin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30559
Assay: Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay
Measurement: Ki = 144 nM (pChEMBL 6.840000152587891)
Descriptors: MW 374.83, ALogP 3.54, HBA 7, HBD 0, PSA 71.29, QED 0.63
Compound (SMILES): CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C
InChIKey: FMJAMEXUMLPVCZ-UHFFFAOYSA-N
Target: Oxytocin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30559
Assay: Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay
Measurement: Ki = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 391.44, ALogP 2.68, HBA 9, HBD 0, PSA 92.77, QED 0.48
Compound (SMILES): CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C
InChIKey: WPIWHSNSOLUJGS-UHFFFAOYSA-N
Target: Oxytocin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30559
Assay: Antagonist activity at human oxytocin receptor by cell based beta-lactamase reporter gene assay
Measurement: Ki = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 398.46, ALogP 3.21, HBA 8, HBD 0, PSA 80.52, QED 0.49
Compound (SMILES): CSc1ccc(Oc2ccncc2CN(C)C)cc1Cl
InChIKey: AATCVLWFSZDJGG-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 308.83, ALogP 4.31, HBA 4, HBD 0, PSA 25.36, QED 0.77
Compound (SMILES): CN(C)Cc1cnccc1Oc1ccc2c(c1)CCS2
InChIKey: KWOODKDHYFLWHW-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 286.4, ALogP 3.58, HBA 4, HBD 0, PSA 25.36, QED 0.86
Compound (SMILES): CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
InChIKey: HEHZCBKVNPTLCZ-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 366.51, ALogP 3.63, HBA 5, HBD 1, PSA 58.64, QED 0.76
Compound (SMILES): CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)cc1
InChIKey: SNPSZRHSFIRMEF-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 352.48, ALogP 3.29, HBA 5, HBD 2, PSA 67.43, QED 0.75
Compound (SMILES): CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1F
InChIKey: YIYVNZNITPSGSX-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 384.5, ALogP 3.77, HBA 5, HBD 1, PSA 58.64, QED 0.74
Compound (SMILES): CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(SC)c(F)c1
InChIKey: CDUCCZKHIIXOFH-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 370.47, ALogP 3.43, HBA 5, HBD 2, PSA 67.43, QED 0.73
Compound (SMILES): COc1ccccc1CC(Cc1ccc(-c2ccccc2)cc1)n1ccnc1
InChIKey: OMHFLHBBISSYIZ-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 368.48, ALogP 5.59, HBA 3, HBD 0, PSA 27.05, QED 0.43
Compound (SMILES): COc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1
InChIKey: SDAWROHZJFECJP-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 1680 nM (pChEMBL 5.78000020980835)
Descriptors: MW 368.48, ALogP 5.59, HBA 3, HBD 0, PSA 27.05, QED 0.43
Compound (SMILES): Clc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1
InChIKey: NVQBYKHOPUTNFK-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 1240 nM (pChEMBL 5.909999847412109)
Descriptors: MW 407.34, ALogP 6.88, HBA 2, HBD 0, PSA 17.82, QED 0.34
Compound (SMILES): Fc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(F)c1
InChIKey: NEVBJFRXLKMRDJ-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 374.43, ALogP 5.85, HBA 2, HBD 0, PSA 17.82, QED 0.41
Compound (SMILES): O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12
InChIKey: FJMBSAKPYYSFQQ-UHFFFAOYSA-N
Target: PH and SEC7 domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: A5PKW4
Assay: Inhibition of N-terminal His-tagged and N-terminal alpha-helix lacking Arf6 (14 to 175 residues) (unknown origin) expressed in Escherichia coli using 20 nM Arf6 in presence of ARNO (50 to 255 residues) incubated for 1 hr by fluorometric high throughput assay
Measurement: IC50 = 3700 nM (pChEMBL 5.429999828338623)
Descriptors: MW 403.79, ALogP 4.95, HBA 3, HBD 1, PSA 50.16, QED 0.53
Compound (SMILES): COC(=O)Cc1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(Br)cc3)c2[nH]1
InChIKey: GQAIPIWUQNIUGJ-UHFFFAOYSA-N
Target: 1-deoxy-D-xylulose-5-phosphate synthase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WNS3
Assay: Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli
Measurement: IC50 = 73000 nM (pChEMBL 4.139999866485596)
Descriptors: MW 430.18, ALogP 3.19, HBA 5, HBD 1, PSA 76.46, QED 0.65
Compound (SMILES): Cc1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2[nH]1
InChIKey: IUVANITUCXCBJY-UHFFFAOYSA-N
Target: 1-deoxy-D-xylulose-5-phosphate synthase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WNS3
Assay: Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli
Measurement: IC50 = 98400 nM (pChEMBL 4.010000228881836)
Descriptors: MW 327.69, ALogP 3.67, HBA 3, HBD 1, PSA 50.16, QED 0.74
Compound (SMILES): CC(C)n1c2cc(Cl)c(F)cc2c(=O)c2c(=O)o[nH]c21
InChIKey: WDOAVCPYTBBYJE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 12.3 nM (pChEMBL 7.909999847412109)
Descriptors: MW 296.69, ALogP 2.81, HBA 4, HBD 1, PSA 68, QED 0.75
Compound (SMILES): CCCCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)o[nH]c21
InChIKey: YRVVLUIFOUTBGD-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 310.71, ALogP 3.03, HBA 4, HBD 1, PSA 68, QED 0.81
Compound (SMILES): O=c1o[nH]c2c1c(=O)c1cc(F)c(Cl)cc1n2Cc1ccccc1
InChIKey: JTQIPRFASTWFSP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 36.5 nM (pChEMBL 7.440000057220459)
Descriptors: MW 344.73, ALogP 3.28, HBA 4, HBD 1, PSA 68, QED 0.61
Compound (SMILES): COc1ccc2cc(/C=C/c3ccc(N(C)C)cc3)oc2c1
InChIKey: GAAPZOXKUKNOPB-UXBLZVDNSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 293.37, ALogP 4.68, HBA 3, HBD 0, PSA 25.61, QED 0.7
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3ccc(O)cc3o2)cc1
InChIKey: FUSDLQMTJKMFQT-BJMVGYQFSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 3620 nM (pChEMBL 5.440000057220459)
Descriptors: MW 279.34, ALogP 4.37, HBA 3, HBD 1, PSA 36.61, QED 0.77
Compound (SMILES): Cc1ccc2cc(/C=C/c3ccc(N(C)C)cc3)oc2c1
InChIKey: XAVSJRYRIAKURJ-YRNVUSSQSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 3440 nM (pChEMBL 5.460000038146973)
Descriptors: MW 277.37, ALogP 4.98, HBA 2, HBD 0, PSA 16.38, QED 0.67
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3ccc(F)cc3o2)cc1
InChIKey: HVLZXYBYAAAXJY-BJMVGYQFSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 2190 nM (pChEMBL 5.659999847412109)
Descriptors: MW 281.33, ALogP 4.81, HBA 2, HBD 0, PSA 16.38, QED 0.68
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3ccc(Cl)cc3o2)cc1
InChIKey: VRBMLPZUJXRITR-BJMVGYQFSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 3210 nM (pChEMBL 5.489999771118164)
Descriptors: MW 297.79, ALogP 5.32, HBA 2, HBD 0, PSA 16.38, QED 0.65
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3ccc(Br)cc3o2)cc1
InChIKey: ADDKXHVJHJEPSK-BJMVGYQFSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 1340 nM (pChEMBL 5.869999885559082)
Descriptors: MW 342.24, ALogP 5.43, HBA 2, HBD 0, PSA 16.38, QED 0.63
Compound (SMILES): O=c1[nH]c2cc(F)ccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
InChIKey: BVXXXRLWEYNAGE-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 = 1.04 nM (pChEMBL 8.979999542236328)
Descriptors: MW 476.52, ALogP 4.79, HBA 4, HBD 1, PSA 44.27, QED 0.55
Compound (SMILES): O=c1[nH]c2ccc(F)cc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1
InChIKey: VGVQNTNYOVKGPI-UHFFFAOYSA-N
Target: Muscarinic acetylcholine receptor M1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11229
Assay: Agonist activity at muscarinic M1 receptor
Measurement: EC50 > 10 nM (pChEMBL 8)
Descriptors: MW 476.52, ALogP 4.79, HBA 4, HBD 1, PSA 44.27, QED 0.55
Compound (SMILES): COc1ccc2c(CC(=O)Nc3cccc(S(N)(=O)=O)c3)cc(=O)oc2c1
InChIKey: OWQJSCXFFPCNIJ-UHFFFAOYSA-N
Target: Carbonic anhydrase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00915
Assay: Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method
Measurement: Ki = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 388.4, ALogP 1.63, HBA 6, HBD 2, PSA 128.7, QED 0.64
Compound (SMILES): CCOc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1
InChIKey: GMWCWFZGYRHQSM-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19327
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 422.53, ALogP 2.43, HBA 8, HBD 0, PSA 68.42, QED 0.49
Compound (SMILES): CC(C)Oc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1
InChIKey: ILMAXPRFLXLJED-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19327
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
Measurement: Ki = 6.8 nM (pChEMBL 8.170000076293945)
Descriptors: MW 436.56, ALogP 2.82, HBA 8, HBD 0, PSA 68.42, QED 0.48
Compound (SMILES): O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIKey: AQFHIZYLJBPOKQ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19327
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
Measurement: Ki = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 446.48, ALogP 3.05, HBA 7, HBD 0, PSA 59.19, QED 0.52
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIKey: CXGKOSAZNSEUKH-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 267 nM (pChEMBL 6.570000171661377)
Descriptors: MW 354.5, ALogP 3.08, HBA 3, HBD 0, PSA 50.58, QED 0.83
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC(O)(c2ccccc2)CC1
InChIKey: HXRLLKSPWBGGTE-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 345.49, ALogP 2.51, HBA 3, HBD 1, PSA 47.02, QED 0.91
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCN(c2ccccc2)CC1
InChIKey: HQWYGWNOAALAQQ-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 506 nM (pChEMBL 6.300000190734863)
Descriptors: MW 330.48, ALogP 2.35, HBA 3, HBD 0, PSA 30.03, QED 0.85
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIKey: RIIUHTQGDQYAKS-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 364.92, ALogP 3, HBA 3, HBD 0, PSA 30.03, QED 0.82
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIKey: RWKPIEGRBPYNIV-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 297 nM (pChEMBL 6.53000020980835)
Descriptors: MW 364.92, ALogP 3, HBA 3, HBD 0, PSA 30.03, QED 0.82
Compound (SMILES): CCOC(Cc1ccc(OCCCN2CC=C(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)O
InChIKey: OBLLJVOXHWIASZ-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 9790 nM (pChEMBL 5.010000228881836)
Descriptors: MW 477.52, ALogP 5.3, HBA 4, HBD 1, PSA 59, QED 0.45
Compound (SMILES): CCOC(Cc1ccc(OCCCN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1)C(=O)O
InChIKey: ZBJYTLVBCAOWHI-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 478.42, ALogP 5.58, HBA 4, HBD 1, PSA 59, QED 0.43
Compound (SMILES): CCC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O
InChIKey: ZMCMESSSPAZOTD-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 3860 nM (pChEMBL 5.409999847412109)
Descriptors: MW 413.95, ALogP 5.16, HBA 3, HBD 1, PSA 49.77, QED 0.62
Compound (SMILES): CC(Cc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)(Oc1ccccc1)C(=O)O
InChIKey: FEDDVMAFQBIHHZ-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 25480 nM (pChEMBL 4.590000152587891)
Descriptors: MW 492.02, ALogP 5.97, HBA 4, HBD 1, PSA 59, QED 0.38
Compound (SMILES): Cc1ccc2c(c1)[nH]c1c3cc(O)c(CC(=O)O)cc3ccc21
InChIKey: RIVUNEBMYQCJSY-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 9200 nM (pChEMBL 5.039999961853027)
Descriptors: MW 305.33, ALogP 4.12, HBA 2, HBD 3, PSA 73.32, QED 0.52
Compound (SMILES): O=C(O)c1cc2ccc3c4ccc(C(F)(F)F)cc4[nH]c3c2cc1O
InChIKey: RYNOZWOYJNQMAT-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 143 nM (pChEMBL 6.840000152587891)
Descriptors: MW 345.28, ALogP 4.9, HBA 2, HBD 3, PSA 73.32, QED 0.46
Compound (SMILES): O=C(O)c1cc2c(cc1O)-c1[nH]c3cc(C(F)(F)F)ccc3c1CC2
InChIKey: BUCAUTIZRCPVOP-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 473 nM (pChEMBL 6.329999923706055)
Descriptors: MW 347.29, ALogP 4.36, HBA 2, HBD 3, PSA 73.32, QED 0.61
Compound (SMILES): O=C(O)c1cc2c(cc1O)-c1[nH]c3c(F)ccc(C(F)(F)F)c3c1CC2
InChIKey: VVXPIDMGMDCIEU-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 799 nM (pChEMBL 6.099999904632568)
Descriptors: MW 365.28, ALogP 4.5, HBA 2, HBD 3, PSA 73.32, QED 0.56
Compound (SMILES): O=C(O)c1cc2c(cc1O)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC2
InChIKey: SXSWWKXSPAYACR-UHFFFAOYSA-N
Target: Thrombopoietin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P40238
Assay: Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
Measurement: EC50 = 333 nM (pChEMBL 6.480000019073486)
Descriptors: MW 347.29, ALogP 4.36, HBA 2, HBD 3, PSA 73.32, QED 0.61
Compound (SMILES): CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2c(c1)CCS2
InChIKey: HQMHNYZVKXRMSP-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 378.52, ALogP 3.56, HBA 5, HBD 1, PSA 58.64, QED 0.83
Compound (SMILES): CSc1ccc(Oc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1C
InChIKey: WJIJJUDGKSDLGZ-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 380.54, ALogP 3.94, HBA 5, HBD 1, PSA 58.64, QED 0.74
Compound (SMILES): CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2c(c1)OCCS2
InChIKey: OKRFWLHFFMDJDB-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 394.52, ALogP 3.4, HBA 6, HBD 1, PSA 67.87, QED 0.81
Compound (SMILES): CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1
InChIKey: VCNSPGHSQPMCFF-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 352.48, ALogP 2.91, HBA 5, HBD 1, PSA 72.63, QED 0.81
Compound (SMILES): CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc([S+](C)[O-])cc1
InChIKey: JOQTYFCRRMFQJX-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 368.48, ALogP 1.93, HBA 5, HBD 1, PSA 95.69, QED 0.79
Compound (SMILES): COc1ccc(-c2c(C)nn3c(=O)cc(-c4ccccc4)[nH]c23)cc1
InChIKey: DJBYOAASOJYAIY-UHFFFAOYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Inhibition of purified full-length human PASK expressed in insect cells using MBP protein substrate incubated for 10 mins before ATP addition and measured after 1 hr by kinase-Glo luminescent kinase assay
Measurement: IC50 >= 10000 nM (pChEMBL 5)
Descriptors: MW 331.38, ALogP 3.67, HBA 4, HBD 1, PSA 59.39, QED 0.62
Compound (SMILES): COc1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(OC)cc4)c3[nH]2)cc1
InChIKey: VPNMUBBZHPZCHM-UHFFFAOYSA-N
Target: 1-deoxy-D-xylulose-5-phosphate synthase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WNS3
Assay: Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli
Measurement: IC50 = 42400 nM (pChEMBL 4.369999885559082)
Descriptors: MW 361.4, ALogP 3.68, HBA 5, HBD 1, PSA 68.62, QED 0.6
Compound (SMILES): Cc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1-c1ccc(Cl)cc1
InChIKey: PXKZSZOETXKDIU-UHFFFAOYSA-N
Target: 1-deoxy-D-xylulose-5-phosphate synthase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WNS3
Assay: Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli
Measurement: IC50 = 34200 nM (pChEMBL 4.46999979019165)
Descriptors: MW 335.79, ALogP 4.32, HBA 3, HBD 1, PSA 50.16, QED 0.59
Compound (SMILES): COc1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(Cl)cc4)c3[nH]2)cc1
InChIKey: WHNQWOYWLATTDK-UHFFFAOYSA-N
Target: 1-deoxy-D-xylulose-5-phosphate synthase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WNS3
Assay: Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli
Measurement: IC50 = 10900 nM (pChEMBL 4.960000038146973)
Descriptors: MW 365.82, ALogP 4.33, HBA 4, HBD 1, PSA 59.39, QED 0.59
Compound (SMILES): O=C1C=C(CC(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C(=O)c2ccccc21
InChIKey: QGFZKSVMLZRDQH-UHFFFAOYSA-N
Target: M-phase inducer phosphatase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30305
Assay: Inhibition of human recombinant fused MBP-CDC25B3
Measurement: IC50 = 37900 nM (pChEMBL 4.420000076293945)
Descriptors: MW 454.48, ALogP 4.49, HBA 6, HBD 0, PSA 86.74, QED 0.37
Compound (SMILES): O=C1C=C(CCC(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C(=O)c2ccccc21
InChIKey: PFFLQFSPXDFXMB-UHFFFAOYSA-N
Target: M-phase inducer phosphatase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30305
Assay: Inhibition of human recombinant fused MBP-CDC25B3
Measurement: IC50 = 10700 nM (pChEMBL 4.96999979019165)
Descriptors: MW 468.51, ALogP 4.88, HBA 6, HBD 0, PSA 86.74, QED 0.33
Compound (SMILES): CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(Cc3ccccc3)c21
InChIKey: KZDYODNYDBKAPP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 1271 nM (pChEMBL 5.900000095367432)
Descriptors: MW 372.78, ALogP 3.77, HBA 5, HBD 0, PSA 57.14, QED 0.55
Compound (SMILES): CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(Cc3cccc(O)c3)c21
InChIKey: GHCJUDZBDUVDGX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 271 nM (pChEMBL 6.570000171661377)
Descriptors: MW 388.78, ALogP 3.48, HBA 6, HBD 1, PSA 77.37, QED 0.58
Compound (SMILES): CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(CCOCc3ccccc3)c21
InChIKey: VDJVDNBZUVWWMK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 4894 nM (pChEMBL 5.309999942779541)
Descriptors: MW 416.84, ALogP 3.94, HBA 6, HBD 0, PSA 66.37, QED 0.45
Compound (SMILES): CCn1c2cc(Cl)c(F)cc2c(=O)c2c(=O)on(CCO)c21
InChIKey: LGMKUVDUTQHORU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 1162 nM (pChEMBL 5.929999828338623)
Descriptors: MW 326.71, ALogP 1.71, HBA 6, HBD 1, PSA 77.37, QED 0.79
Compound (SMILES): CCn1c2cc(Cl)c(OC)cc2c(=O)c2c(=O)o[nH]c21
InChIKey: ICKGZXSYHSVKJW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 2698 nM (pChEMBL 5.570000171661377)
Descriptors: MW 294.69, ALogP 2.12, HBA 5, HBD 1, PSA 77.23, QED 0.79
Compound (SMILES): CCn1c2cc(Cl)c(O)cc2c(=O)c2c(=O)o[nH]c21
InChIKey: HNODKCFEFLQKBO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of Pim1
Measurement: Ki = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 280.67, ALogP 1.81, HBA 5, HBD 2, PSA 88.23, QED 0.71
Compound (SMILES): CN(C)c1ccc(/C=C/c2cc3ccc(I)cc3o2)cc1
InChIKey: MUVUVGAWOQPUGI-BJMVGYQFSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 389.24, ALogP 5.27, HBA 2, HBD 0, PSA 16.38, QED 0.57
Compound (SMILES): COc1ccc2oc(/C=C/c3ccc(N)cc3)cc2c1
InChIKey: RTKWOUNYQOOKDK-QPJJXVBHSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 820 nM (pChEMBL 6.090000152587891)
Descriptors: MW 265.31, ALogP 4.19, HBA 3, HBD 1, PSA 48.39, QED 0.72
Compound (SMILES): CNc1ccc(/C=C/c2cc3cc(OC)ccc3o2)cc1
InChIKey: HDGZBNVTNVZYRG-VMPITWQZSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 279.34, ALogP 4.65, HBA 3, HBD 1, PSA 34.4, QED 0.75
Compound (SMILES): Cl.Nc1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1
InChIKey: UUAMIBKZUGHWJD-CDQVLDCRSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 2950 nM (pChEMBL 5.53000020980835)
Descriptors: MW 251.29, ALogP 3.89, HBA 3, HBD 2, PSA 59.39, QED 0.68
Compound (SMILES): CNc1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1.Cl
InChIKey: SSAKQQDQKOXZIY-ZFXMFRGYSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 2160 nM (pChEMBL 5.670000076293945)
Descriptors: MW 265.31, ALogP 4.35, HBA 3, HBD 2, PSA 45.4, QED 0.74
Compound (SMILES): COc1ccc2cc(/C=C/c3ccc(N)cc3)oc2c1
InChIKey: CERJBDOJFKYNAT-XBXARRHUSA-N
Target: Amyloid-beta precursor protein (SINGLE PROTEIN), Homo sapiens
UniProt: P05067
Assay: Inhibition of amyloid beta42 fibril formation by thioflavin T formation
Measurement: IC50 = 5440 nM (pChEMBL 5.260000228881836)
Descriptors: MW 265.31, ALogP 4.19, HBA 3, HBD 1, PSA 48.39, QED 0.72
Compound (SMILES): COc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)cc(=O)oc2c1
InChIKey: NFLMNEBPJVSVBV-UHFFFAOYSA-N
Target: Carbonic anhydrase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00915
Assay: Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method
Measurement: Ki = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 535.48, ALogP 1.3, HBA 8, HBD 3, PSA 188.86, QED 0.39
Compound (SMILES): CCOc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIKey: ZFKARVJYVCGJKP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19327
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
Measurement: Ki = 27.7 nM (pChEMBL 7.559999942779541)
Descriptors: MW 471.61, ALogP 4.19, HBA 7, HBD 0, PSA 55.53, QED 0.34
Compound (SMILES): CC(C)Oc1ccccc1N1CCN(CCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIKey: YYNRMEFVRGJRRZ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19327
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
Measurement: Ki = 22.8 nM (pChEMBL 7.639999866485596)
Descriptors: MW 485.63, ALogP 4.58, HBA 7, HBD 0, PSA 55.53, QED 0.33
Compound (SMILES): O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIKey: MKHSUBPUHSIMQZ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19327
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
Measurement: Ki = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 495.55, ALogP 4.81, HBA 6, HBD 0, PSA 46.3, QED 0.35
Compound (SMILES): O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2ncccn2)CC1
InChIKey: OHANAUKADHVNOK-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19327
Assay: Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
Measurement: Ki = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 380.46, ALogP 0.82, HBA 9, HBD 0, PSA 84.97, QED 0.56
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIKey: HJTZMXVGRJSRFE-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 364.92, ALogP 3, HBA 3, HBD 0, PSA 30.03, QED 0.82
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC(C(C)(C)C)CC1
InChIKey: OMSWMMOJUVZXGB-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 309.5, ALogP 3.28, HBA 2, HBD 0, PSA 26.79, QED 0.8
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)Cc1ccccc12
InChIKey: CAFBJJWILSUHGZ-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 783 nM (pChEMBL 6.110000133514404)
Descriptors: MW 384.52, ALogP 2.19, HBA 3, HBD 1, PSA 55.89, QED 0.87
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)Nc1ccccc12
InChIKey: DKRBMKQSQUOOTF-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 386.5, ALogP 3.08, HBA 4, HBD 1, PSA 65.12, QED 0.87
Compound (SMILES): CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2
InChIKey: JTBTVMJVGXQORV-UHFFFAOYSA-N
Target: Histamine H3 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5N1
Assay: Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
Measurement: IC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 385.51, ALogP 2.17, HBA 4, HBD 2, PSA 67.92, QED 0.84
Compound (SMILES): CC(C)(Oc1ccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)cc1)C(=O)O
InChIKey: NPVZXFMOPRESBK-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 868 nM (pChEMBL 6.059999942779541)
Descriptors: MW 415.92, ALogP 4.75, HBA 4, HBD 1, PSA 59, QED 0.67
Compound (SMILES): CC(C)(Oc1cccc(OCCN2CC=C(c3ccc(Cl)cc3)CC2)c1)C(=O)O
InChIKey: WVOMNOYIQFGZFD-UHFFFAOYSA-N
Target: Peroxisome proliferator-activated receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q07869
Assay: Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
Measurement: EC50 = 331 nM (pChEMBL 6.480000019073486)
Descriptors: MW 415.92, ALogP 4.75, HBA 4, HBD 1, PSA 59, QED 0.67
Compound (SMILES): Ic1ccc(Nc2nc(-c3ccccn3)cs2)nc1
InChIKey: NMJGIAZGQDHVAH-UHFFFAOYSA-N
Target: Small conductance calcium-activated potassium channel protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UGI6
Assay: Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 380.21, ALogP 3.95, HBA 5, HBD 1, PSA 50.7, QED 0.7
Compound (SMILES): c1ccc(Nc2nc(-c3ccccn3)cs2)nc1
InChIKey: RYCUBTFYRLAMFA-UHFFFAOYSA-N
Target: Small conductance calcium-activated potassium channel protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UGI6
Assay: Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay
Measurement: IC50 = 543 nM (pChEMBL 6.260000228881836)
Descriptors: MW 254.32, ALogP 3.34, HBA 5, HBD 1, PSA 50.7, QED 0.78
Compound (SMILES): c1ccc(-c2csc(Nc3cccnc3)n2)nc1
InChIKey: FZCUWQXYKMJMIR-UHFFFAOYSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 2238.7 nM (pChEMBL 5.650000095367432)
Descriptors: MW 254.32, ALogP 3.34, HBA 5, HBD 1, PSA 50.7, QED 0.78