CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
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 CFFID3892
Family Name Androgen receptor Ligand Palodesangren E Family
No. of Seeds 12 No. of Other Members 43
Family Centroid CFAMM00299834 Functional Category Investigative Drug with Natural Product
Superfamily Neuraminidase and Androgen receptor Binder Superfamily
Class Class 605

Cousin Family NamesSeedsMembers
Thyroid hormone receptor alpha ligand thyroid hormone analog L... 10 61
Oestrogen receptor Ligand triphenyl ethylene stilbene derivati... 22 420
Retinoic acid receptor Ligand naphthoic acid derivative Adapal... 2 264
Histamine H1 receptor Ligand Doxepin Family 8 89
Cannabinoid receptor 1 Ligand Marinol Family 32 454
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
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
Oestrogen receptor ligand Dienestrol Family 35 440
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
Oestrogen receptor Ligand Lasofoxifene Family 19 152
Hidrosmin family 14 61
Ipriflavone family 62 2480
Rotenone family 16 107
taste receptor Ligand Cynarin Family 6 124
Agrimophol family 10 22
Salicin family 5 629
Chromomycin A3 family 7 14
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
NAD-dependent protein deacetylase sirtuin-1 Inhibitor SRT501 F... 19 88
Steryl-sulfatase Inhibitor Stx 64 Family 7 160
Muscarinic acetylcholine receptor M1 Ligand GSK1034702 Family 7 148
Cannabinoid receptor 1 Ligand Cbd Cannabis Derivative Family 1 3
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 9 123
Multidrug resistance protein Inhibitor Curcumin I Family 19 278
Oxi4503 family 4 27
Acolbifene family 10 115
Free fatty acid receptor 1 Ligand TAK-875 Family 2 54
TS-071 family 8 36
Arachidonate 5-lipoxygenase Inhibitor Caffeic Acid Family 3 32
Interleukin-1 beta Inhibitor Diacerein Family 3 77
Integrase Inhibitor L-708,906 Family 1 8
Endothelin-1 receptor Ligand PD156707 Family 41 211
Estrogen receptor beta Ligand 2-(4-hydroxy-phenyl)benzofuran-5... 5 82
Proto-oncogene tyrosine-protein kinase Src Inhibitor Malonic A... 1 34
Phospholipase A2 Inhibitor P-anisic Acid Family 2 178
Peroxisome proliferator-activated receptor gamma Ligand (2s)-2... 10 126
Arachidonate 15-lipoxygenase Inhibitor Isoscopoletin Family 5 98
Platelet-activating factor receptor Ligand L-652731 Family 5 116
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
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 25 50
Steryl-sulfatase Inhibitor Sulfamic Acid 4-(3-methoxy-benzoyl)... 5 24
Glucocorticoid receptor Ligand 1-methoxy-6-phenyl-6h-benzo[c]c... 2 22
Leukotriene B4 receptor 1 Ligand SC-51146 Family 6 315
Steryl-sulfatase Inhibitor Sulfamic Acid 2-nonyl-4-oxo-4h-chro... 4 68
Aromatase and DNA-dependent protein kinase catalytic subunit I... 6 19
DNA-dependent protein kinase catalytic subunit Inhibitor 7-pro... 5 49
Phospholipase A2 Inhibitor 3,9-dihydroxy-2,10-diprenylpterocap... 9 25
Abelson tyrosine-protein kinase 2 Inhibitor 3'',5''-dimethoxy-... 3 9
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... 9 81
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
Oestrogen receptor and Estrogen receptor beta Ligand 3,8-dihyd... 20 57
Carbonic anhydrase 1 and Carbonic anhydrase 2 Inhibitor Ellagi... 1 11
Tubulin beta chain Inhibitor Combretastatin Family 3 5
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 2 214
NAD(P)H dehydrogenase [quinone] 1 Inhibitor NSC-106547 Family 3 65
L-selectin and P-selectin Inhibitor 2,3,4-trihydroxybenzoic Ac... 2 10
Arachidonate 15-lipoxygenase and Arachidonate 5-lipoxygenase I... 3 18
Tyrosine-protein phosphatase non-receptor type 1 Ligand Licoag... 9 32
Acetylcholinesterase Inhibitor AP-2238 Family 2 109
Sodium/glucose cotransporter 2 Inhibitor Maackiain Family 1 5
Carbonic anhydrase 9 and Carbonic anhydrase 12 Inhibitor Ethox... 12 80
Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand 4-(1,... 3 31
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 4 160
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
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
Protein kinase C alpha type Inhibitor Acetoside Family 5 39
Thyroid hormone receptor alpha and Thyroid hormone receptor be... 5 8
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
Arachidonate 12-lipoxygenase, 12S-type and Arachidonate 15-lip... 2 1
Androgen receptor Ligand 2'-hydroxy-3-methoxy-biphenyl-4-carbo... 2 13
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
Interleukin-8 Inhibitor 2-(2-(2-fluorophenoxy)phenyl)acetic Ac... 2 4
Aromatase Inhibitor NSC-122427 Family 1 0
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
Amine oxidase [flavin-containing] B Inhibitor 7-fluoro-2-p-tol... 4 11
Cytochrome P450 2D6 Inhibitor 4-methylaminomethyl-7-methoxycou... 3 80
Tyrosine-protein phosphatase non-receptor type 1 and Neuramini... 10 2
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
NF-kappa-B Inhibitor Rocaglamide Family 8 8
Amine oxidase [flavin-containing] B Inhibitor 8-bromo-6-methyl... 5 44
Cytochrome P450 3A4 Inhibitor Diethoxyflourescein Family 3 9
Heat shock cognate 71 kDa protein Inhibitor NSC-119913 Family 2 1
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 2-(3-c... 5 72
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
Tyrosinase Inhibitor 3-(2,4-dihydroxyphenyl)-propionic Acid Et... 3 8
Prostaglandin G/H synthase 2 Inhibitor 3,4-dibenzyloxy-2'-hydr... 7 40
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 3 27
72 kDa type IV collagenase Inhibitor Lithospermic Acid Family 1 0
Liver carboxylesterase 1 Inhibitor 2-methoxy-3,4-methylenediox... 4 26
Tyrosyl-DNA phosphodiesterase 1 and Microtubule-associated pro... 1 1
Estrogen receptor and Estrogen receptor beta ligand CHEMBL1087... 2 0
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 6 6
Peroxisome proliferator-activated receptor alpha and Peroxisom... 4 28
Sodium/glucose cotransporter 2 and Sodium/glucose cotransporte... 3 19
Peroxisome proliferator-activated receptor alpha and Peroxisom... 2 7
Protein kinase C theta type and Protein kinase C eta type inhi... 7 4
Retinoic acid receptor RXR-alpha and Peroxisome proliferator-a... 3 17
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 4
D(4) dopamine receptor and D(3) dopamine receptor ligand 3-ben... 5 334
Peroxisome proliferator-activated receptor alpha and Peroxisom... 7 6
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
Free fatty acid receptor 1 ligand 3-[4-[[3-[2,6-dimethyl-4-[3-... 1 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
Endothelin-1 receptor ligand SureCN8117947 family 1 3
Eukaryotic initiation factor 4A-I inhibitor methyl (1R,2R,3S,3... 12 1
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 2 0
Peroxisome proliferator-activated receptor delta ligand SureCN... 1 0
5-hydroxytryptamine receptor 7 and Alpha-2C adrenergic recepto... 3 0
Estrogen receptor beta and Estrogen receptor ligand SureCN4017... 3 5
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 7 13
Carbonic anhydrase 2 and Carbonic anhydrase 5A, mitochondrial ... 4 5
Carbonic anhydrase 2 and Carbonic anhydrase 5A, mitochondrial ... 3 5
Carbonic anhydrase 2 and Carbonic anhydrase 5A, mitochondrial ... 3 2
Endothelin-1 receptor and Endothelin B receptor ligand SureCN7... 2 2
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
Estrogen receptor beta and Estrogen receptor ligand 7-bromo-3-... 1 0
Amine oxidase [flavin-containing] A inhibitor AGN-PC-00LZQK fa... 1 24
Acetylcholinesterase and Butyrylcholinesterase inhibitor [3-[[... 1 65
NAD(P)H dehydrogenase [quinone] 1 inhibitor AGN-PC-0AKS1I family 1 0
Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 ... 2 10
Potassium voltage-gated channel subfamily A member 3 ligand CH... 10 11
Free fatty acid receptor 1 ligand 2-[(3S)-6-[[3-[3,5-dichloro-... 1 0
Free fatty acid receptor 1 ligand 2-[(8S)-3-(3-bromophenyl)-2,... 2 3
Free fatty acid receptor 1 ligand 2-[(3R,8S)-3-(3-chlorophenyl... 2 2
Free fatty acid receptor 1 ligand 2-[(8S)-3-[5-[2-chloro-4-(3-... 3 3
Calmodulin inhibitor CHEMBL2408940 family 1 0
Cytosolic phospholipase A2 beta inhibitor 2-[3-[3-(4-decoxyphe... 1 0
Aldose reductase inhibitor SureCN10487490 family 2 8
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 1 1
Neuropeptide Y receptor type 5 and Thioredoxin glutathione red... 13 6
Multidrug resistance protein 1 inhibitor CHEMBL1 family 2 0
G2/mitotic-specific cyclin-B1 and Cyclin-dependent kinase 1 in... 2 8
Survival motor neuron protein and Prelamin-A/C inhibitor CHEMB... 2 32
Cytochrome P450 3A4 inhibitor 4-[(2E)-6-[(E)-3-hydroxy-2,6-dim... 3 2
Beta-lactamase inhibitor AGN-PC-0A9UJZ family 1 3
Carbonic anhydrase 2 and Carbonic anhydrase 1 inhibitor propan... 3 5
Peroxisome proliferator-activated receptor alpha and Peroxisom... 2 8
NS5B protein inhibitor SureCN3988565 family 2 4
Glutamate carboxypeptidase 2 inhibitor 2-phenylmethoxy-6-(2-su... 2 3
Carbonic anhydrase 9 and Carbonic anhydrase 12 inhibitor 5,10-... 1 0
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 1 7
Huntingtin and Putative fructose-1,6-bisphosphate aldolase inh... 1 0
Vitamin K epoxide reductase complex subunit 1 inhibitor AGN-PC... 1 0
Receptor-type tyrosine-protein phosphatase C and Tyrosine-prot... 1 0
Benzyloxycarbonyls Metabolite 4-Methoxybenzyl formate Family 1 7
Benzofurans Metabolite (R)-Bitalin A Family 1 9
Phenols and Derivatives Metabolite 2-(Ethoxymethyl)phenol Family 1 14
Benzene and Substituted Derivatives Metabolite 1,3,5-Trimethox... 2 17
Coumarin NP Clausarin Family 1 0
NP Agn-pc-096s84 Family 40 0
NP (z)-2-(4-isopropylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-... 16 0
Putative NP ZINC04043753 Family 8 6
diethylcarbamate NP 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2h-... 3 0
propanoate NP 8-methyl-2-oxo-4-phenyl-2h-chromen-7-yl 3-((tert... 30 0
2-amino-3-methylpentanoate NP 2-((3-(4-fluorophenoxy)-4-oxo-4h... 13 2
ahydropyrano[3,2-c]chromene NP ZINC04023039 Family 16 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
NP 2-(7-methoxy-4,8-dimethyl-2-oxo-2h-chromen-3-yl)-n-(3-(2-ox... 3 0
Putative NP ZINC04029250 Family 6 2
NP 2,2,11,12-tetramethyl-3,4,8,9-tetrahydro-2h-cyclopenta[c]fu... 3 1
NP 3-(4-methoxyphenoxy)-4-oxo-4h-chromen-7-yl 4-bromobenzoate ... 13 0
dimethylchromen-2-one NP 4-(chloromethyl)-6,7-dimethyl-2h-chro... 5 2
NP (z)-2-((2-methyl-2h-chromen-3-yl)methylene)-3-oxo-2,3-dihyd... 74 1
3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4-methyl-2-oxochromen-3... 5 0
(4-methyl-2-oxochromen-7-yl) (2R)-2-amino-4-methylpentanoate N... 1 0
8-methyl-4-(2-oxochromen-3-yl)chromen-2-one NP 7'-((2,6-dichlo... 3 0
4-oxochromene-2-carboxylate NP Ethyl 3-(7-(2-(4-bromophenyl)-2... 10 1
orobenzoate NP 3-(2-methoxyphenyl)-2-methyl-4-oxo-4h-chromen-7... 22 0
4-(9H-xanthen-9-yl)-9H-xanthene NP 9h,9'h-4,9'-bixanthene Family 1 0
[(2S)-3-(4,8-dimethyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]-(... 1 1
Putative NP ZINC02424323 Family 24 0
ethyl 4-[2-(hydroxyamino)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien... 1 0
bromobenzoate NP ZINC11865066 Family 6 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00299828 CHEMBL1940400 Bioactive 3-(3-hydroxyphenyl)propyl (E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enoate
CFAMM00299818 CHEMBL1940399 Bioactive 3-(2-hydroxyphenyl)propyl (E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enoate
CFAMM00299740 CHEMBL342395 Bioactive SureCN7625803
CFAMM00299739 CHEMBL141362 Bioactive AGN-PC-00GDX5
CFAMM00299781 CHEMBL415992 Bioactive AGN-PC-002L6Q
CFAMM00299749 CHEMBL109085 Bioactive 3,4-dimethyl-7-[(3-methylphenyl)methoxy]chromen-2-one
CFAMM00299812 CHEMBL141671 Bioactive SureCN8561890
CFAMM00299834 DNC013896 Investigative Drug Palodesangren E
CFAMM00299833 DNC013897 Investigative Drug Palodesangren D
CFAMM00299760 DNC013898 Investigative Drug Palodesangren C

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
 

 

27256 visits since 2014 .........

 



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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