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 CFFID2716
Family Name Cannabinoid receptor 1 and Cannabinoid receptor 2 Ligand 3-benzyl-5-isopropyl-8-methylchromen-2-one Family
No. of Seeds 4 No. of Other Members 74
Family Centroid CFAMM00274823 Functional Category Investigative Drug with Natural Product
Superfamily Retinoic acid receptor Ligand Adapalene Superfamily
Class Class 98

Cousin Family NamesSeedsMembers
Thyroid hormone receptor alpha ligand thyroid hormone analog L... 10 61
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
Lipoprotein lipase Inhibitor Gemfibrozil Family 1 28
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
DNA Binder Methoxsalen Family 10 1638
Muscarinic acetylcholine receptor Ligand Methantheline Family 6 8
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
Tretinoin Tocoferil family 1 13
Ipriflavone family 62 2480
Rotenone family 16 107
Danthron family 11 141
Agrimophol family 10 22
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
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
Free fatty acid receptor 1 Ligand TAK-875 Family 2 54
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
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
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 Ligand... 4 26
Steryl-sulfatase Inhibitor Sulfamic Acid 4-(3-methoxy-benzoyl)... 5 24
Glucocorticoid receptor Ligand 1-methoxy-6-phenyl-6h-benzo[c]c... 2 22
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor 2,5-... 2 96
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Inhibitor (2,5... 1 9
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
Oestrogen receptor and Estrogen receptor beta Ligand 7-chloro-... 2 27
Phospholipase A2 Inhibitor 3,9-dihydroxy-2,10-diprenylpterocap... 9 25
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
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
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 2 214
NAD(P)H dehydrogenase [quinone] 1 Inhibitor NSC-106547 Family 3 65
Platelet-derived growth factor receptor beta Ligand Bis(5-meth... 5 220
Acetylcholinesterase Inhibitor AP-2238 Family 2 109
Carbonic anhydrase 9 and Carbonic anhydrase 12 Inhibitor Ethox... 12 80
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 4 160
Thyroid hormone receptor beta Ligand 2-hexylphenyl Acrylate Fa... 4 83
NAD(P)H dehydrogenase [quinone] 1 Inhibitor 4-amino-2h-chromen... 2 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
MO15-related protein kinase Pfmrk Inhibitor WR-289012 Family 2 17
Cannabinoid receptor 2 Ligand 2-(2-methoxybenzyl)-3h-benzo[f]c... 6 32
Cytochrome P450 3A4 Inhibitor (-)-cubebininolide Family 4 28
Interleukin-8 Inhibitor 2-(2-(2-fluorophenoxy)phenyl)acetic Ac... 2 4
Amine oxidase [flavin-containing] B Inhibitor (s)(+)-7-fluoro-... 11 11
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
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
Heat shock cognate 71 kDa protein Inhibitor NSC-119913 Family 2 1
Arachidonate 5-lipoxygenase Inhibitor 4,5-dimethoxy-10h-anthra... 1 4
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
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
Liver carboxylesterase 1 Inhibitor 2-methoxy-3,4-methylenediox... 4 26
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 6 6
Peroxisome proliferator-activated receptor alpha and Peroxisom... 2 7
Retinoic acid receptor RXR-alpha and Peroxisome proliferator-a... 3 17
Carbonic anhydrase 2 inhibitor (2-sulfamoyl-1-benzofuran-5-yl)... 4 2
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
Arachidonate 5-lipoxygenase inhibitor 7-[[3-fluoro-5-[(1S,3S,5... 2 0
Arachidonate 5-lipoxygenase inhibitor methyl (2S)-2-[3-fluoro-... 2 0
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 2 0
Peroxisome proliferator-activated receptor delta ligand SureCN... 1 0
Protein kinase C alpha type inhibitor [2-(hydroxymethyl)-5-oxo... 2 4
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 ... 3 5
Carbonic anhydrase 2 and Carbonic anhydrase 5A, mitochondrial ... 3 2
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 2 7
Androgen receptor and Estrogen receptor ligand estradiol benzo... 1 29
D(4) dopamine receptor and D(3) dopamine receptor ligand 3-ben... 3 2
Peroxisome proliferator-activated receptor delta and Peroxisom... 2 2
Estrogen receptor beta and Estrogen receptor ligand 7-bromo-3-... 1 0
Leukotriene B4 receptor 1 and Leukotriene B4 receptor 2 ligand... 2 7
Bloom syndrome protein and Survival motor neuron protein inhib... 2 1
Carbonic anhydrase 2 and Carbonic anhydrase 1 inhibitor (4-met... 1 1
Sodium-dependent serotonin transporter and Sodium-dependent do... 3 78
Sodium-dependent dopamine transporter inhibitor AGN-PC-0471DJ ... 1 2
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 1 1
Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 ... 1 2
Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 ... 4 19
Neuropeptide Y receptor type 5 and Thioredoxin glutathione red... 13 6
Multidrug resistance protein 1 inhibitor CHEMBL1 family 2 0
Acetylcholinesterase inhibitor SureCN10041451 family 1 1
Thioredoxin glutathione reductase and Beta-lactamase inhibitor... 1 0
Amine oxidase [flavin-containing] B and Amine oxidase [flavin-... 1 10
Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 ... 2 19
Steryl-sulfatase inhibitor [(8R,9S,13S,14S)-13-methyl-17-oxo-7... 1 9
Peroxisome proliferator-activated receptor alpha and Peroxisom... 2 8
Reverse transcriptase/RNaseH inhibitor AC1O5CPP family 1 5
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
Amine oxidase [flavin-containing] A inhibitor AGN-PC-02ON4B fa... 1 7
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
Phenylacetic Acid Derivatives Metabolite Guaicyl phenylacetate... 1 3
Naphthofurans Metabolite Pyrocurzerenone Family 1 9
Putative NP ZINC31165975 Family 4 0
Putative NP ZINC31158464 Family 3 5
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
NP Agn-pc-05grlk Family 2 1
diethylcarbamate NP 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-2h-... 3 0
NP Ethyl 5-(tert-butyl)-3-oxo-8,9,10,11-tetrahydro-3h-benzofur... 1 0
2-amino-3-methylpentanoate NP 2-((3-(4-fluorophenoxy)-4-oxo-4h... 13 2
benzofuran-2-one NP 5-hydroxybenzofuran-2(3h)-one Family 1 0
NP 4-(((3-(4-chlorophenyl)-2-methyl-4-oxo-4h-chromen-7-yl)oxy)... 14 0
(6-bromo-5,8-dioxonaphthalen-1-yl) acetate NP 6-bromo-5,8-diox... 1 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
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
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
NP (z)-2-((2-methyl-2h-chromen-3-yl)methylene)-3-oxo-2,3-dihyd... 74 1
(4-methyl-2-oxochromen-7-yl) (2R)-2-amino-4-methylpentanoate N... 1 0
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
orobenzoate NP 3-(2-methoxyphenyl)-2-methyl-4-oxo-4h-chromen-7... 22 0
NP 4-(5-fluoro-3-methylbenzofuran-2-yl)-7,8-dihydrocyclopenta[... 2 0
Putative NP ZINC02424323 Family 24 0
bromobenzoate NP ZINC11865066 Family 6 0
NP 6-chloro-4-(chloromethyl)-5,7-dimethylchromen-2-one Family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00274853 CHEMBL1835224 Bioactive 6-methoxy-3-(4-methylphenyl)chromen-2-one
CFAMM00274823 DNC009119 Investigative Drug 3-Benzyl-5-isopropyl-8-methylchromen-2-one
CFAMM00274821 DNC010065 Investigative Drug 7-phenethoxy-2H-chromen-2-one

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
 

 

48713 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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