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 CFFBM13454
Family Name Adenosine receptor A1 ligand 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-[2-[(4-methylphenyl)carbamothioylamino]ethyl]acetamide family
No. of Seeds 14 No. of Other Members 0
Family Centroid CFAMM00422469 Functional Category Bioactive
Superfamily Adenosine receptor A1 and Adenosine receptor A3 Binder Superfamily
Class Class 1289

Cousin Family NamesSeedsMembers
Cyclin-dependent kinase 2 Inhibitor Seliciclib Family 29 292
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
GP-531 family 1 33
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
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 A1 and Adenosine receptor A2a Ligand N6-met... 21 57
Adenosine receptor A1 and Adenosine receptor A2a Ligand 2-[(4-... 15 9
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
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,... 3 0
Adenosine receptor A3 and Adenosine receptor A1 ligand (2R,3S,... 1 2
Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) ... 24 9
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
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
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 A2b and Adenosine receptor A1 ligand SureCN... 11 4
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 A1 and Adenosine receptor A3 ligand N-benzy... 4 2
Adenosine receptor A3 and Adenosine receptor A1 ligand (2S,3S,... 2 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 A2b ligand Cgs-2... 1 2
P2X purinoceptor 1 and P2X purinoceptor 3 inhibitor [(2R,3R,4R... 1 5
Adenosine receptor A1 ligand (2,5-dioxopyrrolidin-1-yl) 2-[4-[... 3 0
cAMP-dependent protein kinase catalytic subunit alpha inhibito... 1 5
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
78 kDa glucose-regulated protein inhibitor 4-[[(2R,3S,4R,5R)-5... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00422468 CHEMBL603931 Bioactive 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-[2-[(4-fluorophenyl)carbamothioylamino]ethyl]acetamide
CFAMM00422467 CHEMBL604353 Bioactive N-[2-[(4-bromophenyl)carbamothioylamino]ethyl]-2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide
CFAMM00422466 CHEMBL605047 Bioactive 2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]-N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]acetamide
CFAMM00422472 CHEMBL605171 Bioactive 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-[2-[(2,3,4,5,6-pentafluorophenyl)carbamothioylamino]ethyl]acetamide
CFAMM00422465 CHEMBL605170 Bioactive N-[2-[(4-cyanophenyl)carbamothioylamino]ethyl]-2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide
CFAMM00422471 CHEMBL605179 Bioactive 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]acetamide
CFAMM00422464 CHEMBL603400 Bioactive 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-(2-isothiocyanatoethyl)acetamide
CFAMM00422470 CHEMBL603938 Bioactive 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-[2-[(2-fluorophenyl)carbamothioylamino]ethyl]acetamide
CFAMM00422463 CHEMBL604626 Bioactive 2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CFAMM00422469 CHEMBL603937 Bioactive 2-[4-[[2-[4-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-[2-[(4-methylphenyl)carbamothioylamino]ethyl]acetamide
CFAMM00422462 CHEMBL2413101 Bioactive 2-[4-[[2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetyl]amino]phenyl]-N-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]acetamide

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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