CFam Chemical Families Database
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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFID1878
Family Name 3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-steroid 4-dehydrogenase 2 Inhibitor 4-[4-benzyloxy)benzoyl]benzoic Acid Family
No. of Seeds 9 No. of Other Members 81
Family Centroid CFAMM00253136 Functional Category Investigative Drug with Natural Product
Superfamily 3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-steroid 4-dehydrogenase 2 Binder Superfamily
Class Class 197

Cousin Family NamesSeedsMembers
Thyroid hormone receptor alpha ligand thyroid hormone analog L... 10 61
Retinoic acid receptor Ligand naphthoic acid derivative Adapal... 2 264
Prostaglandin G/H synthase 2 Inhibitor Diflunisal Family 7 421
Histamine H1 receptor Ligand Doxepin Family 8 89
Lipoprotein lipase Inhibitor Gemfibrozil Family 1 28
Peroxisome proliferator-activated receptor alpha Ligand Fenofi... 3 127
Sodium channel protein type 5 subunit alpha Ligand Dyclonine F... 6 174
Cyclooxygenase Inhibitor Fenoprofen Family 4 1077
Cyclooxygenase inhibitor salicylate derivative Aspirin family 3 234
Prostaglandin G/H synthase 2 Inhibitor Nabumetone Family 4 267
Signal transducer and activator of transcription 3 Inhibitor A... 5 249
Solute carrier family 12 member 1 Inhibitor Ethacrynic Acid Fa... 3 42
Vitamin K epoxide reductase complex subunit 1 Inhibitor Warfar... 9 508
Inosine-5'-monophosphate dehydrogenase 2 Inhibitor Mycophenola... 4 353
Heat shock protein 90, putative Inhibitor Cromoglicate Family 14 2827
DNA Binder Methoxsalen Family 10 1638
Muscarinic acetylcholine receptor Ligand Flavoxate Family 9 350
Vitamin K-dependent gamma-carboxylase Inhibitor Anisindione Fa... 3 243
D-alanyl-D-alanine carboxypeptidase Inhibitor B-lactams Family 59 1364
Aldehyde oxidase Inhibitor Isovanillin Family 6 429
Hidrosmin family 14 61
Ipriflavone family 62 2480
Rotenone family 16 107
Danthron family 11 141
taste receptor Ligand Cynarin Family 6 124
Agrimophol family 10 22
Cyclin-dependent kinase 2 Inhibitor Flavopiridol Family 4 124
Leukotriene B4 receptor 1 Ligand LY293111 Family 24 79
Sphingosine kinase 2 Inhibitor Phenoxodiol Family 24 682
Steryl-sulfatase Inhibitor Stx 64 Family 7 160
Muscarinic acetylcholine receptor M1 Ligand GSK1034702 Family 7 148
Sodium- and chloride-dependent glycine transporter 1 Inhibitor... 6 33
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 9 123
Multidrug resistance protein Inhibitor Curcumin I Family 19 278
Free fatty acid receptor 1 Ligand TAK-875 Family 2 54
Kynureninase Inhibitor 3-methoxydesaminokynurenine Family 1 1
Interleukin-1 beta Inhibitor Diacerein Family 3 77
Serine protease Inhibitor Gabexate Family 1 3
Integrase Inhibitor L-708,906 Family 1 8
Glucose-6-phosphate translocase Inhibitor Mumbaistatin Family 3 11
Endothelin-1 receptor Ligand PD156707 Family 41 211
Macrophage migration inhibitory factor and Prothrombin Inhibit... 2 49
Estrogen receptor beta Ligand 2-(4-hydroxy-phenyl)benzofuran-5... 5 82
Phospholipase A2 Inhibitor P-anisic Acid Family 2 178
Peroxisome proliferator-activated receptor gamma Ligand (2s)-2... 10 126
Peroxisome proliferator-activated receptor gamma Ligand (2s)-2... 2 14
Cytosolic phospholipase A2 Inhibitor 1,1,1-trifluoro-6-(4-hexy... 9 86
Steryl-sulfatase Inhibitor 4-sulfamoyloxy-benzoic Acid Hexyl E... 11 1
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 Ligand... 4 26
Steryl-sulfatase Inhibitor Sulfamic Acid 4-(3-methoxy-benzoyl)... 5 24
Steryl-sulfatase Inhibitor 3-{4-[(aminosulfonyl)oxy]benzoyl}ph... 5 3
Steryl-sulfatase Inhibitor Sulfamic Acid 3-(4-hydroxy-benzoyl)... 3 2
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor 2,5-... 2 96
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor (2,5... 1 9
Leukotriene B4 receptor 1 Ligand SC-51146 Family 6 315
Steryl-sulfatase Inhibitor Sulfamic Acid 2-nonyl-4-oxo-4h-chro... 4 68
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor 7-(b... 4 42
Epidermal growth factor receptor Ligand AG-538 Family 5 11
Aromatase and DNA-dependent protein kinase catalytic subunit I... 6 19
DNA-dependent protein kinase catalytic subunit Inhibitor 7-pro... 5 49
Oestrogen receptor and Estrogen receptor beta Ligand 7-chloro-... 2 27
Estrogen receptor beta Ligand 3,6-dihydroxy-2-(4-hydroxy-pheny... 2 23
Thyroid hormone receptor beta Ligand (3,5-dibromo-4-pentyloxy-... 5 21
Phospholipase A2 Inhibitor 3,9-dihydroxy-2,10-diprenylpterocap... 9 25
Interstitial collagenase Inhibitor N-hydroxy-4-(4-methoxy-phen... 6 4
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 2 56
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 2 3
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 4 127
4-aminobutyrate aminotransferase, mitochondrial and Succinate-... 4 22
Oestrogen receptor and Estrogen receptor beta Ligand 3,8-dihyd... 20 57
Carbonic anhydrase 1 and Carbonic anhydrase 2 Inhibitor Ellagi... 1 11
Glutamate carboxypeptidase 2 Inhibitor 3-(1-carboxy-4-mercapto... 1 1
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 2 214
Prostaglandin D2 receptor 2 Ligand 2-(2-benzoyl-4-bromophenoxy... 4 35
Platelet-derived growth factor receptor beta Ligand Bis(5-meth... 5 220
Tyrosine-protein phosphatase non-receptor type 1 Ligand Licoag... 9 32
Carbonic anhydrase 9 and Carbonic anhydrase 12 Inhibitor Ethox... 12 80
Thyroid hormone receptor beta Ligand 2-hexylphenyl Acrylate Fa... 4 83
Prostaglandin D2 receptor 2 Ligand 2-(4-cyano-2-cyclohexylphen... 6 3
Cytosolic phospholipase A2 Inhibitor [6,3''']biflavone Family 5 5
Kappa-type opioid receptor Ligand Anisocoumarin H Family 3 5
Oxysterols receptor LXR-alpha and Oxysterols receptor LXR-beta... 4 37
Estradiol 17-beta-dehydrogenase 1 Inhibitor 3-(6-hydroxy-2-nap... 7 9
Androgen receptor Ligand 2-methoxy-4-(o-tolyloxy)benzonitrile ... 5 12
Protein kinase C alpha type and Protein kinase C beta type Inh... 2 1
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 2 12
MO15-related protein kinase Pfmrk Inhibitor WR-289012 Family 2 17
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand 3-ben... 4 74
Cannabinoid receptor 2 Ligand 2-(2-methoxybenzyl)-3h-benzo[f]c... 6 32
Squalene monooxygenase Inhibitor Octyl_gallate Family 5 5
Arachidonate 12-lipoxygenase, 12S-type and Arachidonate 15-lip... 3 7
Protein kinase C gamma type and Protein kinase C alpha type In... 2 1
Indoleamine 2,3-dioxygenase 1 Inhibitor 2-hydroxygarvin A Family 2 2
Cytochrome P450 3A4 Inhibitor (-)-cubebininolide Family 4 28
Protein kinase C delta type and Protein kinase C alpha type In... 4 105
Interleukin-8 Inhibitor 2-(2-(2-fluorophenoxy)phenyl)acetic Ac... 2 4
Amine oxidase [flavin-containing] B Inhibitor (s)(+)-7-fluoro-... 11 11
NAD(P)H dehydrogenase [quinone] 1 Inhibitor Ethyl Bis(4-hydrox... 5 7
NAD(P)H dehydrogenase [quinone] 1 Inhibitor 4-hydroxy-3-(2-nap... 12 1
Carbonic anhydrase 1 and Carbonic anhydrase 2 Inhibitor 6-meth... 2 36
Amine oxidase [flavin-containing] B Inhibitor 3-(4-methoxyphen... 3 29
Neutrophil elastase Inhibitor E-6-o-p-methoxycinnamoyl Scandos... 2 68
Aromatase Inhibitor 3,4-bis(3,4-dimethoxyphenyl)furan-2(5h)-on... 4 86
Amine oxidase [flavin-containing] B Inhibitor 4-oxo-4h-chromen... 2 3
Amine oxidase [flavin-containing] B Inhibitor 8-bromo-6-methyl... 5 44
Tyrosine-protein phosphatase non-receptor type 1 Ligand Formyl... 1 1
Cytochrome P450 3A4 Inhibitor Diethoxyflourescein Family 3 9
Arachidonate 5-lipoxygenase Inhibitor 4,5-dimethoxy-10h-anthra... 1 4
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 2-(3-c... 5 72
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 2-(3-b... 6 21
Epidermal growth factor receptor Ligand 3-(3-chloro-phenyl)-5,... 10 64
Protein farnesyltransferase subunit beta Inhibitor Cylindrol A... 3 43
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 3 0
Acetylcholinesterase Inhibitor 4-formylphenyl-o-beta-d-ribopyr... 2 17
Prostaglandin G/H synthase 2 Inhibitor 3,4-dibenzyloxy-2'-hydr... 7 40
Androgen receptor Ligand Palodesangren E Family 12 43
CGMP-dependent protein kinase Inhibitor Tenellone A Family 1 7
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 3 27
Prostaglandin G/H synthase 2 Inhibitor Neolignan 9-nor-7,8-deh... 1 7
72 kDa type IV collagenase Inhibitor Lithospermic Acid Family 1 0
Creatine kinase Inhibitor 5-(4'-benzoylbiphenyl-4-yl)-2-furoic... 2 66
DNA polymerase Inhibitor 3alpha-o-trans-p-coumaroyl-7-labden-1... 1 13
Liver carboxylesterase 1 Inhibitor 2-methoxy-3,4-methylenediox... 4 26
Tyrosyl-DNA phosphodiesterase 1 and Microtubule-associated pro... 1 1
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 6 6
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 6 19
Peroxisome proliferator-activated receptor alpha and Peroxisom... 2 7
Histamine H1 receptor ligand SureCN5064818 family 4 9
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 10 8
ELAV-like protein 1 and Myosin light chain kinase, smooth musc... 1 32
Retinoic acid receptor RXR-alpha and Peroxisome proliferator-a... 3 17
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 4
Survival motor neuron protein and Retinal dehydrogenase 1 inhi... 1 11
Acetylcholinesterase inhibitor AGN-PC-003A5N family 3 9
Amine oxidase [flavin-containing] B inhibitor 5-(4,4,4-trifluo... 2 9
Endothelin-1 receptor ligand (2S)-2-(1,3-benzodioxol-5-yl)-4-m... 17 0
Arachidonate 5-lipoxygenase inhibitor 7-[[3-fluoro-5-(3-hydrox... 2 10
Arachidonate 5-lipoxygenase inhibitor 7-[[3-fluoro-5-[(1S,3S,5... 2 0
Free fatty acid receptor 1 ligand 3-[4-[[3-[4-(1,1-dioxothian-... 3 0
Arachidonate 5-lipoxygenase inhibitor methyl (2S)-2-[3-fluoro-... 2 0
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 2 7
Peroxisome proliferator-activated receptor delta and Peroxisom... 4 2
Vitamin D3 receptor ligand (3E,5E)-6-[3-[[3,4-bis(hydroxymethy... 2 4
Peroxisome proliferator-activated receptor delta ligand SureCN... 1 0
Protein kinase C alpha type inhibitor [2-(hydroxymethyl)-5-oxo... 2 4
Protein kinase C delta type and Protein kinase C beta type inh... 3 9
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-P... 2 14
Estrogen receptor beta and Estrogen receptor ligand SureCN4017... 3 5
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 7 13
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 2 7
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 1 3
Androgen receptor and Estrogen receptor ligand estradiol benzo... 1 29
Cysteinyl leukotriene receptor 1 ligand 4-[(E)-1-carboxy-6-[4-... 2 9
Protein kinase C beta type and Protein kinase C eta type inhib... 1 0
3-hydroxy-3-methylglutaryl-coenzyme A reductase inhibitor (4R)... 1 4
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 2
Peroxisome proliferator-activated receptor delta and Peroxisom... 2 2
Protein kinase C delta type and Protein kinase C alpha type in... 1 10
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 7
Thromboxane A2 receptor ligand AGN-PC-003UTI family 1 0
Tyrosine-protein phosphatase non-receptor type 1 ligand (2S)-2... 9 3
Arachidonate 5-lipoxygenase and Prostaglandin G/H synthase 1 i... 1 0
Sterol 26-hydroxylase, mitochondrial and 1,25-dihydroxyvitamin... 1 2
Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 ... 2 7
Sodium-dependent serotonin transporter and Sodium-dependent do... 3 78
Free fatty acid receptor 1 ligand 3-[4-[2-[2-(cyanomethoxy)phe... 1 2
Free fatty acid receptor 1 ligand 3-[4-[2-[3-(trifluoromethoxy... 1 0
Tyrosine-protein phosphatase non-receptor type 1 ligand 4-[4-[... 6 2
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 1 1
Neuropeptide Y receptor type 5 and Thioredoxin glutathione red... 13 6
Glycogen synthase kinase-3 beta inhibitor 5-(5-methylfuran-2-y... 7 6
Glycogen synthase kinase-3 beta inhibitor AGN-PC-07CO97 family 1 1
Acetylcholinesterase inhibitor SureCN10041451 family 1 1
Thioredoxin glutathione reductase and Beta-lactamase inhibitor... 1 0
M-phase inducer phosphatase 2 and Dual specificity protein pho... 1 0
Glycogen phosphorylase, muscle form and Glycogen phosphorylase... 1 2
G2/mitotic-specific cyclin-B1 and Cyclin-dependent kinase 1 in... 2 8
DNA-(apurinic or apyrimidinic site) lyase and Retinal dehydrog... 1 18
Thyroid hormone receptor beta and Thyroid hormone receptor alp... 1 1
Estrogen receptor beta and Estrogen receptor ligand (5-hydroxy... 1 1
Cytochrome P450 3A4 inhibitor 4-[(2E)-6-[(E)-3-hydroxy-2,6-dim... 3 2
Peroxisome proliferator-activated receptor alpha and Peroxisom... 2 8
Reverse transcriptase/RNaseH inhibitor AC1O5CPP family 1 5
Methionine aminopeptidase inhibitor 5-[2-(Trifluoromethoxy)phe... 1 0
NS5B protein inhibitor SureCN3988565 family 2 4
Glutamate carboxypeptidase 2 inhibitor 2-phenylmethoxy-6-(2-su... 2 3
Thyroid hormone receptor beta and Thyroid hormone receptor alp... 1 1
Vasopressin V2 receptor and C-C chemokine receptor type 4 liga... 1 1
Indoleamine 2,3-dioxygenase 1 inhibitor AGN-PC-04S2CP family 1 3
Arachidonate 5-lipoxygenase inhibitor AGN-PC-00OPWJ family 1 1
Corticosteroid 11-beta-dehydrogenase isozyme 2 and Corticoster... 1 2
Cannabinoid receptor 1 and Cytochrome P450 3A4 ligand LY320135... 1 0
Vitamin K epoxide reductase complex subunit 1 inhibitor AGN-PC... 1 0
Prelamin-A/C and Inositol monophosphatase 1 inhibitor MLS00053... 1 1
Integrase inhibitor AC1NX3RZ family 1 0
Sugar Acids and Derivatives Metabolite 3-Methoxy-4-hydroxyphen... 1 6
Benzofurans Metabolite 4-Hydroxyphthalide Family 1 1
Benzoic Acid and Derivatives Metabolite Methyl 3-(2,3-dihydrox... 1 3
Acenes Metabolite Lacinilene C Family 2 3
Phenylacetic Acid Derivatives Metabolite Guaicyl phenylacetate... 1 3
Acenes Metabolite 3-Hydroxy-9-(4-hydroxyphenyl)-1H,3H-naphtho[... 1 0
Benzofurans Metabolite (R)-Bitalin A Family 1 9
Prenol Lipids Metabolite Rosmadial Family 1 0
Acenes Metabolite Musanolone D Family 2 1
Naphthofurans Metabolite Pyrocurzerenone Family 1 9
Putative NP ZINC49600254 Family 8 2
Putative NP ZINC31165975 Family 4 0
Putative NP ZINC31158464 Family 3 5
NP (z)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofura... 9 0
NP (z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-... 16 0
Putative NP ZINC04043753 Family 8 6
NP 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4h-cyclohepta[c]furan... 13 3
4H-1,3-benzodioxine-6-carboxylate NP ZINC07952017 Family 2 2
NP Ethyl 3-(4-bromophenyl)-7-((methylsulfonyl)oxy)-4-oxo-4h-ch... 9 1
NP 2-((3-(3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)-6-ethyl-4... 10 0
2-amino-3-methylpentanoate NP 2-((3-(4-fluorophenoxy)-4-oxo-4h... 13 2
NP 4-(((3-(4-chlorophenyl)-2-methyl-4-oxo-4h-chromen-7-yl)oxy)... 14 0
2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate NP ZINC00132596... 4 2
4-acetylphenyl (1'S,2'R,6'R,9'R)-dispiro[cyclohexane-1,4'-[3,5... 4 2
NP 3-(4-methoxyphenoxy)-4-oxo-4h-chromen-7-yl 4-bromobenzoate ... 13 0
NP (z)-6-((4-bromobenzyl)oxy)-2-(3,4-dimethoxybenzylidene)benz... 13 2
NP Agn-pc-05wmi6 Family 2 0
4-(7-((2-amino-3-phenylpropanoyl)oxy)-5-hydroxy-4-oxo-4H-chrom... 3 0
[(2R,3R,4S,5R,6S)-3-acetyloxy-6-[2-(4-methoxyphenyl)-2-oxoethy... 1 1
3-pentyl-5-(phenoxymethyl)oxolan-2-one NP ZINC02116245 Family 4 0
NP (z)-2-((2-methyl-2h-chromen-3-yl)methylene)-3-oxo-2,3-dihyd... 74 1
NP (2r,3r,4s,5r,6s)-2-(acetoxymethyl)-6-(2-propionylphenoxy)te... 2 3
4-oxochromene-2-carboxylate NP Ethyl 3-(7-(2-(4-bromophenyl)-2... 10 1
NP Ethyl 7-((2-chlorobenzoyl)oxy)-3-(2-methoxyphenyl)-4-oxo-4h... 37 1
orobenzoate NP 3-(2-methoxyphenyl)-2-methyl-4-oxo-4h-chromen-7... 22 0
Putative NP ZINC09486076 Family 56 0
1-benzofuran-3-one NP ZINC02367988 Family 9 0
benzenesulfonate NP ZINC09051160 Family 47 2
Putative NP ZINC02424323 Family 24 0
2-(trifluoromethyl)chromen-4-one NP ZINC01929476 Family 25 0
ethyl 4-[2-(hydroxyamino)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien... 1 0
Putative NP ZINC01135787 Family 3 0
Putative NP ZINC09517236 Family 5 0
bromobenzoate NP ZINC11865066 Family 6 0
Putative NP ZINC08382321 Family 8 2
2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate NP ZINC0... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00253129 DNC006090 Investigative Drug 3-[4-(4-phenoxybenzoyl)phenyl]propanoic acid
CFAMM00253135 DNC006089 Investigative Drug (E)-3-(4-(4-phenoxybenzoyl)phenyl)acrylic acid
CFAMM00253128 DNC006091 Investigative Drug 4-(4-phenoxybenzoyl)phenylacetic acid
CFAMM00253134 DNC006088 Investigative Drug 4-(4-phenoxybenzoyl)benzoic acid
CFAMM00253138 DNC006085 Investigative Drug 4-[3-(benzyloxy)benzoyl]benzoic acid
CFAMM00253137 DNC006084 Investigative Drug 4-[4-(benzhydryloxy)benzoyl]benzoic acid
CFAMM00253136 DNC006083 Investigative Drug 4-[4-benzyloxy)benzoyl]benzoic acid

Statistics of CFAM Database

 
CFAM currently contains 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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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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