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 CFFID2373
Family Name Thyroid hormone receptor beta Ligand 2-hexylphenyl Acrylate Family
No. of Seeds 4 No. of Other Members 83
Family Centroid CFAMM00266946 Functional Category Investigative Drug with Human Metabolite & Natural Product
Superfamily Aromatase and Thyroid hormone receptor beta Binder Superfamily
Class Class 2440

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
Serotonin re-uptake Inhibitor Fluoxetine Family 18 682
Lipoprotein lipase Inhibitor Gemfibrozil Family 1 28
Sodium channel protein type 5 subunit alpha Ligand Mexiletine ... 7 74
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
Tyrosinase Inhibitor Monobenzone Family 6 197
Oestrogen receptor ligand Dienestrol Family 35 440
Oestrogen receptor Ligand Chlorotrianisene Family 2 102
Sodium channel Ligand Permethrin Family 1 25
Vitamin K-dependent gamma-carboxylase Inhibitor Anisindione Fa... 3 243
Peroxisome proliferator-activated receptor alpha Ligand Ciprof... 1 5
Tretinoin Tocoferil family 1 13
Ipriflavone family 62 2480
Salicin family 5 629
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
Translocator protein Inhibitor Dextofisopam Family 3 250
Multidrug resistance protein Inhibitor Curcumin I Family 19 278
Free fatty acid receptor 1 Ligand TAK-875 Family 2 54
TS-071 family 8 36
Interleukin-1 beta Inhibitor Diacerein Family 3 77
Histamine H3 receptor Ligand UCL-2138 Family 23 172
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
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor 7-(b... 4 42
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor 1,1,... 2 8
Abelson tyrosine-protein kinase 2 Inhibitor 3'',5''-dimethoxy-... 3 9
Coagulation factor X and Prothrombin Inhibitor 3-chlorophenyl ... 2 12
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
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 4 127
Oestrogen receptor and Estrogen receptor beta Ligand 3,8-dihyd... 20 57
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 2 214
Prostaglandin D2 receptor 2 Ligand 2-(4-bromo-2-tert-butylphen... 3 4
NAD(P)H dehydrogenase [quinone] 1 Inhibitor NSC-106547 Family 3 65
Leukotriene A-4 hydrolase Inhibitor 1-butoxy-4-phenoxybenzene ... 3 85
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
NAD(P)H dehydrogenase [quinone] 1 Inhibitor 4-amino-2h-chromen... 2 3
Prostaglandin D2 receptor 2 Ligand 2-(4-chloro-2-cyclohexylphe... 7 25
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
Androgen receptor Ligand 4-(m-tolyloxy)-2-(trifluoromethyl)ben... 7 65
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 2 12
Thyroid hormone receptor alpha and Thyroid hormone receptor be... 5 8
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
Cytochrome P450 3A4 Inhibitor (-)-cubebininolide Family 4 28
Sodium-dependent dopamine transporter and Sodium-dependent nor... 9 16
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
Aromatase Inhibitor 3,4-bis(3,4-dimethoxyphenyl)furan-2(5h)-on... 4 86
Indoleamine 2,3-dioxygenase 1 Inhibitor 4-methoxybenzenemethan... 2 26
Amine oxidase [flavin-containing] B Inhibitor 8-bromo-6-methyl... 5 44
Prostaglandin G/H synthase 1 Inhibitor Acetic Acid 2-heptylsel... 1 14
Gamma-aminobutyric acid receptor subunit alpha-1 Ligand 2-(3-c... 5 72
5-hydroxytryptamine receptor 2A Ligand C-(9h-xanthen-9-yl)-met... 3 5
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 3 0
Prostaglandin G/H synthase 1 Inhibitor 2-(2-methoxyphenyl)-1h-... 1 11
Androgen receptor Ligand Palodesangren E Family 12 43
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 3 27
Sodium/glucose cotransporter 2 and Sodium/glucose cotransporte... 3 19
Retinoic acid receptor RXR-alpha and Peroxisome proliferator-a... 3 17
Prelamin-A/C and Solute carrier organic anion transporter fami... 1 15
Prostaglandin D2 receptor 2 and Chemoattractant receptor-homol... 4 37
Prostaglandin E2 receptor EP3 subtype and Prostaglandin E2 rec... 4 3
Carbonic anhydrase 1 and Carbonic anhydrase 14 inhibitor (NZ)-... 1 1
Free fatty acid receptor 1 ligand 3-[4-[[3-[4-(1,1-dioxothian-... 3 0
Peroxisome proliferator-activated receptor delta ligand SureCN... 1 0
Histone deacetylase 2 and Histone deacetylase 8 inhibitor 2-hy... 1 0
3-hydroxy-3-methylglutaryl-coenzyme A reductase inhibitor (4R)... 1 4
Bloom syndrome protein and Survival motor neuron protein inhib... 2 1
Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 ... 2 10
Steroidogenic factor 1 and Nuclear receptor subfamily 5 group ... 1 1
Prostaglandin D2 receptor 2 ligand 2-[2-[2-(2-chlorophenyl)eth... 1 0
Carbonic anhydrase 2 and Carbonic anhydrase 1 inhibitor (4-met... 1 1
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
Prostaglandin G/H synthase 2 inhibitor AGN-PC-04VJ4H family 1 2
Thioredoxin glutathione reductase and Beta-lactamase inhibitor... 1 0
Steryl-sulfatase inhibitor [(8R,9S,13S,14S)-13-methyl-17-oxo-7... 1 9
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 (Z)-4-[2-(3-cyanopropoxy)phenyl]-4-hydr... 2 0
NS5B protein inhibitor SureCN3988565 family 2 4
Cannabinoid receptor 1 and Monoglyceride lipase ligand 4-(4-ph... 4 4
Carbonic anhydrase 9 and Carbonic anhydrase 12 inhibitor 5,10-... 1 0
Amine oxidase [flavin-containing] A inhibitor AGN-PC-02ON4B fa... 1 7
Cysteinyl leukotriene receptor 2 and Cysteinyl leukotriene rec... 2 4
Benzoxepines Metabolite 4,5-Dihydro-1-benzoxepin-3(2H)-one Family 1 2
Benzyloxycarbonyls Metabolite 4-Methoxybenzyl formate Family 1 7
Phenylacetic Acid Derivatives Metabolite Guaicyl phenylacetate... 1 3
Phenols and Derivatives Metabolite (±)-Flufenprox Family 1 13
Phenols and Derivatives Metabolite 2-(Ethoxymethyl)phenol Family 1 14
Putative NP ZINC31165975 Family 4 0
Putative NP ZINC04043753 Family 8 6
NP Agn-pc-05grlk Family 2 1
NP 4-(chloromethyl)-6-methoxy-2h-chromen-2-one Family 4 2
2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylate NP ZINC00132596... 4 2
Putative NP ZINC04029250 Family 6 2
2-methyl-2H-chromene-3-carbaldehyde NP 2-methyl-2h-chromene-3-... 2 1
dimethylchromen-2-one NP 4-(chloromethyl)-6,7-dimethyl-2h-chro... 5 2
3-pentyl-5-(phenoxymethyl)oxolan-2-one NP ZINC02116245 Family 4 0
2-[(3,4-dimethoxyphenyl)methyl]propanedioate NP 4aji Family 1 0
5-(4-methoxyphenyl)-2,2-dimethyloxolan-3-one NP 5-(4-methoxyph... 2 0
NP 6-chloro-4-(chloromethyl)-5,7-dimethylchromen-2-one Family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name
CFAMM00267009 DNC009855 Investigative Drug 2,4'-Diacetoxy-5,3'-di-(2-propenyl)-biphenyl
CFAMM00266946 DNC007841 Investigative Drug 2-hexylphenyl acrylate
CFAMM00266962 DNC014750 Investigative Drug Acetic acid 2,6-diisopropyl-phenyl ester
CFAMM00266945 DNC007846 Investigative Drug 4-hexylphenyl propiolate

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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