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CFAM Family ID CFFBM8179 Family Name Histone deacetylase 3 and Histone deacetylase 9 inhibitor (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone family No. of Seeds 1
No. of Other Members 16
Family Centroid CFAMM00386075 Functional Category Bioactive with Natural Product
Superfamily Histone deacetylase 3 and Histone deacetylase 9 inhibitor (3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone Superfamily Class Class 3172
Cousin Family Names Seeds Members Melatonin receptor type 1A Ligand Melatonin Family 20 988 Sodium channel protein type 5 subunit alpha Ligand Dibucaine F... 2 136 cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor indole... 28 2712 Cyclooxygenase Inhibitor Indomethacin Family 6 271 Synaptic vesicular amine transporter inhibitor indole alkaloi... 3 11 ostatin receptor 5 Ligand Pasireotide Diaspartate Family 11 151 Coagulation factor X Inhibitor Apixaban Family 34 52 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin... 12 197 Nicotinic acetylcholine receptor alpha2 / alpha3 Ligand Ibogai... 3 21 72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 37 265 Protein kinase C theta type Inhibitor 4-(1h-indol-5-yloxy)-5-s... 21 194 von Willebrand factor Inhibitor Auryntricarboxylic Acid (ata) ... 12 81 Integrin beta-3 Inhibitor L-756568 Family 8 59 Vascular endothelial growth factor receptor 1 Ligand Lycogarub... 6 292 DNA-dependent protein kinase catalytic subunit Inhibitor 8-(1h... 3 85 Serine/threonine-protein kinase Chk1 Inhibitor A-432411 Family 4 70 Platelet-derived growth factor receptor alpha and Platelet-der... 4 54 5-hydroxytryptamine receptor 2C Ligand N-(6-phenoxypyridin-3-y... 9 69 D(2) dopamine receptor and D(3) dopamine receptor Ligand D-366... 5 75 Cyclin-dependent kinase 2 and G1/S-specific cyclin-E1 Inhibito... 5 1 5-hydroxytryptamine receptor 2A and Alpha-2A adrenergic recept... 4 29 Reverse transcriptase Inhibitor Atevirdine Family 4 55 Gamma-aminobutyric acid receptor subunit alpha-1 and Gamma-ami... 2 31 Arachidonate 5-lipoxygenase Inhibitor TZI-41127 Family 7 34 Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 18 72 Melatonin receptor type 1B and Melatonin receptor type 1A liga... 3 16 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 7 44 Disintegrin and metalloproteinase domain-containing protein 17... 14 9 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 1 14 Vasopressin V1a receptor and Vasopressin V2 receptor ligand (3... 4 41 Disintegrin and metalloproteinase domain-containing protein 17... 2 8 Cathepsin K and Cathepsin S inhibitor dipeptidyl nitrile, 16f ... 3 18 5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 14 48 Vascular endothelial growth factor receptor 2 ligand indolyl q... 2 1 Muscarinic acetylcholine receptor M2 and Acetylcholinesterase ... 4 24 Cannabinoid receptor 1 and Cannabinoid receptor 2 ligand SureC... 8 32 Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 5 Histamine H3 receptor and Cytochrome P450 2D6 ligand AGN-PC-00... 18 32 Histamine H3 receptor ligand AGN-PC-00BG7Z family 11 49 Histamine H3 receptor ligand (4S)-7-bromo-4-methyl-8-(1-propan... 2 0 D(3) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 10 50 D(3) dopamine receptor and D(2) dopamine receptor ligand AGN-P... 4 6 Glutamate receptor ionotropic, NMDA 2D and Glutamate receptor ... 2 21 Disintegrin and metalloproteinase domain-containing protein 17... 4 1 Melanin-concentrating hormone receptor 1 and Cytochrome P450 3... 8 2 Cellular tumor antigen p53 and Microtubule-associated protein ... 1 4 Cellular tumor antigen p53 and DNA polymerase beta inhibitor C... 1 15 Growth hormone secretagogue receptor type 1 ligand 2-amino-N-[... 3 3 Hypoxia-inducible factor 1-alpha and Lethal factor inhibitor C... 1 1 Poly [ADP-ribose] polymerase 1 inhibitor SureCN5002485 family 2 11 Prelamin-A/C and Microtubule-associated protein tau inhibitor ... 1 16 Translocator protein inhibitor N-(4-methoxyphenyl)-N,3-dimethy... 2 2 Cellular tumor antigen p53 and Microtubule-associated protein ... 1 15 D(3) dopamine receptor ligand N-[4-[4-(2,3-dichlorophenyl)pipe... 3 15 5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 3 21 Matrix metalloproteinase-9 and Interstitial collagenase inhibi... 2 3 Cannabinoid receptor 1 ligand 5-cyano-N-(3-hydroxy-2,2-dimethy... 17 4 Melatonin receptor type 1A and Melatonin receptor type 1B liga... 2 0 Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-ami... 2 5 5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 16 19 NS5B protein inhibitor AC1O5AET family 3 1 Serine/threonine-protein kinase RIO2 and Serine/threonine-prot... 19 10 Translocator protein inhibitor (4S)-N,N-diethyl-9-(2-fluoranyl... 9 10 D(3) dopamine receptor ligand AGN-PC-075Z0O family 2 3 Vascular endothelial growth factor receptor 2 and Vascular end... 2 52 Histone deacetylase 6 and Histone deacetylase 1 inhibitor N-hy... 3 2 Substance-P receptor ligand (3R)-4-[3,5-bis(trifluoromethyl)be... 2 3 Histamine H3 receptor ligand 2-[4-(1-methylpyrrole-2-carbonyl)... 3 4 Substance-P receptor ligand 1-[4-(2-methoxyphenyl)piperazin-1-... 11 12 Sodium-dependent serotonin transporter and Alpha-1B adrenergic... 42 20 Platelet-derived growth factor receptor alpha and Vascular end... 3 1 Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 6 159 Cholinesterase and Acetylcholinesterase inhibitor tacrine deri... 10 0 Cathepsin K inhibitor (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-meth... 3 0 Substance-P receptor ligand AGN-PC-01VLKE family 9 11 Beta-2 adrenergic receptor ligand SureCN4598646 family 7 7 Seprase and Prolyl endopeptidase inhibitor N-[2-[(2S)-2-cyanop... 1 3 Estrogen receptor and Estrogen receptor beta ligand N-[(2R)-4-... 7 11 Proto-oncogene tyrosine-protein kinase receptor Ret and Vascul... 5 14 Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor 6-[(3... 1 0 Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor ... 1 1 Neutrophil collagenase and Stromelysin-1 inhibitor (3R)-N-hydr... 2 0 Histone deacetylase 3 and Histone deacetylase 9 inhibitor AGN-... 4 20 Mu-type opioid receptor ligand MITRAGYNINE family 2 8 Cathepsin K inhibitor N-[(2S)-4-methyl-1-[2-[4-(2-methylpropox... 4 0 Matrix metalloproteinase-9 and Neutrophil collagenase inhibito... 3 7 Interstitial collagenase and Matrilysin inhibitor (3S,6R,7S)-N... 2 4 Vasopressin V2 receptor ligand SureCN4400636 family 1 0 Gonadotropin-releasing hormone receptor ligand 2-[2-(4-methoxy... 1 1 Melatonin receptor type 1B and Melatonin receptor type 1A liga... 3 9 D(3) dopamine receptor and 5-hydroxytryptamine receptor 1A lig... 2 0 Substance-P receptor ligand AGN-PC-0D60L0 family 2 7 Histone deacetylase 1 inhibitor (7S)-N-hydroxy-7-[[2-(5-methox... 1 2 cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor CHEMBL4... 6 2 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin... 5 0 Melatonin receptor type 1A and Melatonin receptor type 1B liga... 2 3 Mitogen-activated protein kinase 14 inhibitor SureCN4508019 fa... 1 0 Growth factor receptor-bound protein 2 ligand [4-[(2S)-2-aceta... 2 1 Signal transducer and activator of transcription 1-alpha/beta ... 1 36 Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 1 0 Smoothened homolog inhibitor N-[amino-[3-(1H-indol-2-yl)anilin... 1 4 Histone deacetylase 1 inhibitor (2S)-2-[[2-(5-methoxy-2-methyl... 2 2 Telomerase reverse transcriptase inhibitor N-[9-(4-methoxyanil... 2 0
CFAM Mol ID
External ID
Functional Category
Molecule Name
CFAMM00386075 CHEMBL1793985 Bioactive
(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CFAM Mol ID
External ID
Functional Category
Molecule Name
CFAMM00386069 ZINC00754305 Natural Product
(1R,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CFAMM00386082 ZINC12297050 Natural Product
N-(3-((2,4-dimethoxyphenyl)amino)-3-oxopropyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxamide CFAMM00386068 ZINC09033972 Natural Product
(S)-methyl 2-(2-((3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CFAMM00386081 ZINC20762996 Natural Product
4-(3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide CFAMM00386074 ZINC12662031 Natural Product
(S)-methyl 2-(2-((4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CFAMM00386067 ZINC09034050 Natural Product
(S)-methyl 2-(2-((4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CFAMM00386080 ZINC30903955 Natural Product
3-(3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione CFAMM00386073 ZINC36370025 Natural Product
1-(2,4-dimethoxyphenyl)-3-(6-methoxy-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)pyrrolidine-2,5-dione CFAMM00386066 ZINC00754306 Natural Product
1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CFAMM00386079 ZINC20756318 Natural Product
1-(3,5-dimethoxybenzyl)-6-hydroxy-5-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4(1H,3H)-dione CFAMM00386072 ZINC12296513 Natural Product
N-(2-((2,4-dimethoxyphenyl)amino)-2-oxoethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxamide CFAMM00386078 ZINC20756313 Natural Product
3-[(3,5-dimethoxyphenyl)methyl]-5-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]-2,6-dioxopyrimidin-4-olate CFAMM00386071 ZINC00754307 Natural Product
(1R,3R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CFAMM00386077 ZINC09033990 Natural Product
(R,E)-12b-methyl-2-((3,4,5-trimethoxybenzylidene)amino)-2,3,6,7-tetrahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4(12H,12bH)-dione CFAMM00386070 ZINC00754304 Natural Product
(1S,3S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CFAMM00386076 ZINC09034022 Natural Product
(S)-methyl 2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Statistics of CFAM Database
490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
How to cite our database
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering.
Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
Last update by
2014.08.29
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