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 CFFID2188
Family Name Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-[(4-acetylphenyl)ethynyl]-n6-methoxyadenosine Family
No. of Seeds 15 No. of Other Members 9
Family Centroid CFAMM00262002 Functional Category Investigative Drug with Natural Product
Superfamily Adenosine receptor A1 and Adenosine receptor A2a Binder Superfamily 4
Class Class 652

Cousin Family NamesSeedsMembers
Toll-like receptor 7 Ligand Imiquimod Family 3 237
Cyclin-dependent kinase 2 Inhibitor Seliciclib Family 29 292
Fibroblast growth factor receptor 2 and Fibroblast growth fact... 11 86
P2Y purinoceptor 12 Inhibitor Brilinta Family 1 1
Pigment epithelium-derived factor Inhibitor Adpedr Family 2 112
Adenosine receptor A3 Ligand CF101 Family 24 560
Adenosine receptor A2a Ligand MRE-0094 Family 10 108
Adenosine receptor A1 Ligand SLV320 Family 6 79
GP-531 family 1 33
GDC-0349 family 44 77
C-Jun N-terminal kinase Inhibitor CC-930 Family 2 9
3-hydroxy-3-methylglutaryl-coenzyme A reductase and Alcohol de... 7 10
Equilibrative nucleoside/nucleobase transporter Inhibitor Nitr... 23 98
Poly [ADP-ribose] polymerase 1 Inhibitor EB-47 Family 17 41
Heat shock protein HSP 90-alpha Inhibitor 8-benzo[1,3]dioxol-,... 5 83
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 2 7
Adenosine receptor A1 and Adenosine receptor A2a Ligand N6-met... 7 72
Adenosine receptor A1 and Adenosine receptor A2a Ligand GW-328... 26 94
Adenosine receptor A3 and Dual specificity mitogen-activated p... 5 27
Adenosine receptor A1 and Adenosine receptor A2a Ligand N6-met... 21 57
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-(3''... 12 5
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-(3''... 2 2
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-(3''... 2 3
Adenosine receptor A2a and Adenosine receptor A3 Ligand 2-(3''... 8 10
RAF proto-oncogene serine/threonine-protein kinase Inhibitor L... 219 124
Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5... 11 8
Adenosine kinase inhibitor GP683 family 12 7
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 2 9
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 3 0
Adenosine receptor A3 and Adenosine receptor A1 ligand (2R,3S,... 1 2
Uracil nucleotide/cysteinyl leukotriene receptor ligand azane;... 1 0
Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) ... 24 9
Adenosine receptor A3 ligand SureCN6211758 family 5 10
Adenosine receptor A1 and Adenosine receptor A2a ligand (2S,3S... 2 16
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase inh... 7 6
S-methyl-5'-thioadenosine phosphorylase inhibitor SureCN997478... 8 0
Adenosine receptor A3 ligand (1S,2R,3S,4R,5S)-2,3-dihydroxy-N-... 30 54
Adenosine receptor A3 and Adenosine receptor A2a ligand (1R,2R... 12 17
Adenosine kinase inhibitor N-cyclopropyl-2-[[1-[(2R,3R,4S,5R)-... 4 1
cAMP-specific 3',5'-cyclic phosphodiesterase 4D and cAMP-speci... 2 4
Adenosine deaminase inhibitor AGN-PC-00FYYU family 4 5
Adenosine receptor A1 ligand N-[(2R,3R,4R,5R)-5-[6-(cyclopenty... 3 2
Adenosine kinase inhibitor 2-[[7-[(2R,3R,4S,5R)-3,4-dihydroxy-... 15 0
Adenosine kinase inhibitor SureCN8320660 family 7 2
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 8 10
Dual specificity protein kinase TTK inhibitor 4-[[2-(2-methyl-... 1 0
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 6 17
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 2 0
Adenosine receptor A3 ligand (1R,2R,3S,4R,5S)-4-[2-[2-(2-chlor... 5 1
Adenosine receptor A1 and Adenosine receptor A2a ligand (2R,3R... 1 2
Adenosine receptor A2b and Adenosine receptor A1 ligand SureCN... 11 4
Tyrosine-protein kinase JAK1 and Non-receptor tyrosine-protein... 7 0
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 7 4
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 2 10
Adenosine receptor A3 ligand (2R,3R,4S)-2-[2-chloro-6-[(3-fluo... 6 7
Adenosine receptor A3 ligand (2R,3R,4S)-2-[6-[(3-bromophenyl)m... 3 0
Adenosine receptor A1 ligand N-butyl-5-phenyl-3-[[2-(trifluoro... 7 2
Adenosine receptor A1 and Adenosine receptor A3 ligand N-benzy... 4 2
Tyrosine-protein kinase JAK1 and Tyrosine-protein kinase JAK2 ... 16 0
Adenosine receptor A1 ligand 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-d... 14 0
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 2 0
Serine/threonine-protein kinase mTOR inhibitor 1-ethyl-3-[4-[6... 4 1
Adenosylhomocysteinase inhibitor Carbocyclic 3-deazaadenosine ... 1 0
Adenosine receptor A1 ligand 3-chloro-N-[(2S,3R,4R,5R)-5-[6-(c... 1 0
Adenosine receptor A1 ligand N-[(2R,3R,4R,5R)-5-[6-(cyclopenty... 3 3
Adenosine receptor A2a and Adenosine receptor A1 ligand SureCN... 1 0
Adenosine receptor A2a and Adenosine receptor A2b ligand Cgs-2... 1 2
P2X purinoceptor 1 and P2X purinoceptor 3 inhibitor [(2R,3R,4R... 1 5
Adenosine receptor A3 and Adenosine receptor A1 ligand (2R,3R,... 1 0
Adenosine receptor A1 and Adenosine receptor A3 ligand ethyl 4... 2 0
Adenosine receptor A1 ligand (2,5-dioxopyrrolidin-1-yl) 2-[4-[... 3 0
Adenosine receptor A1 ligand (2-bromophenyl)methyl (1S,3R,4S)-... 1 0
Adenosine receptor A3 and Adenosine receptor A2a ligand (1R,2R... 2 0
Equilibrative nucleoside transporter 1 inhibitor N-[6-[2-[[(2S... 2 0
Adenosine receptor A2a and Adenosine receptor A3 ligand SureCN... 4 3
Adenosine receptor A1 ligand 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-d... 1 0
Adenosine receptor A2a and Adenosine receptor A2b ligand (3S,4... 3 2
Adenosine receptor A2a ligand (1S,2R,3S,4R)-4-[6-amino-2-[2-(4... 1 0
Adenosine receptor A2a and Adenosine receptor A2b ligand (3R,4... 7 3
Adenosine receptor A1 and Adenosine receptor A2b ligand (2R,3R... 1 0
P2Y purinoceptor 12 inhibitor [(3aR,4R,6R,6aR)-4-[6-(ethylcarb... 2 4
DNA polymerase III PolC-type and DNA polymerase III subunit al... 11 10
Equilibrative nucleoside transporter 1 inhibitor methyl 4-[[9-... 1 3
78 kDa glucose-regulated protein inhibitor 4-[[(2R,3S,4R,5R)-5... 1 0
78 kDa glucose-regulated protein and Heat shock cognate 71 kDa... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00261987 CHEMBL574597 Bioactive (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(2-phenylethynyl)purin-9-yl]oxolane-3,4-diol
CFAMM00262003 CHEMBL223625 Bioactive (2S,3S,4R,5R)-5-[2-[2-(4-acetylphenyl)ethynyl]-6-(methoxyamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CFAMM00261996 CHEMBL573030 Bioactive (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-phenylethynyl)purin-9-yl]oxolane-3,4-diol
CFAMM00261985 CHEMBL607604 Bioactive 3-[4-[(E)-[[6-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hydrazinylidene]methyl]phenyl]propanoic acid
CFAMM00262001 CHEMBL607759 Bioactive (3R,4S,5R)-2-[6-(ethylamino)-2-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CFAMM00261983 CHEMBL607886 Bioactive tert-butyl 3-[4-[(E)-[[6-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hydrazinylidene]methyl]phenyl]propanoate
CFAMM00261999 CHEMBL223786 Bioactive (2S,3S,4R,5R)-5-[2-[2-(4-acetylphenyl)ethynyl]-6-(methoxyamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CFAMM00261998 CHEMBL607872 Bioactive tert-butyl 3-[4-[2-[[6-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoate
CFAMM00261988 CHEMBL1277130 Bioactive (2S,3S,4R,5R)-5-[2-[2-(4-acetylphenyl)ethynyl]-6-(methylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
CFAMM00262002 DNC007151 Investigative Drug 2-[(4-acetylphenyl)ethynyl]-N6-methoxyadenosine

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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