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 CFFID2797
Family Name Adenosine receptor A2a Ligand (e,e)-8-(4-phenylbutadien-1-yl)caffeine Family
No. of Seeds 11 No. of Other Members 43
Family Centroid CFAMM00276538 Functional Category Investigative Drug with Natural Product
Superfamily Adenosine receptor A2a and Amine oxidase [flavin-containing] B Binder Superfamily
Class Class 1027

Cousin Family NamesSeedsMembers
Adenosine receptor A2a Ligand KW-6002 Family 18 195
Dipeptidyl peptidase 4 Inhibitor Linagliptin Family 10 81
cAMP-specific 3',5'-cyclic phosphodiesterase 4D Inhibitor Arof... 3 196
Dipeptidyl peptidase 4 Inhibitor SSR-162369 Family 8 27
GP-531 family 1 33
Toll-like receptor 7 Ligand GS-9620 Family 2 4
Adenosine receptor A1 and Adenosine receptor A2a Ligand 8-phen... 12 213
Adenosine receptor A1 and Adenosine receptor A2b Ligand PSB-11... 34 26
Herpes simplex virus type 1 thymidine kinase Inhibitor 9-(4-hy... 2 13
Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-flu... 19 165
Adenosine receptor A2b Ligand CVT-7124 Family 14 64
Amine oxidase [flavin-containing] A and Amine oxidase [flavin-... 6 14
cGMP-specific 3',5'-cyclic phosphodiesterase Inhibitor SCH-577... 9 29
Herpes simplex virus type 1 thymidine kinase Inhibitor N2-(3-t... 1 2
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor SureCN1... 6 16
Adenosine receptor A1 ligand 4-[5-(8-cyclopentyl-2,6-dioxo-1-p... 3 4
Adenosine receptor A1 ligand SureCN10614388 family 5 1
Adenosine receptor A1 ligand 8-(2-amino-4-nitrophenyl)-1,3-dim... 1 0
Adenosine receptor A1 and Adenosine receptor A2b ligand 3-meth... 7 19
Adenosine receptor A2a and Adenosine receptor A1 ligand SureCN... 2 1
Dipeptidyl peptidase 4 inhibitor Xanthine Analogue 4 family 1 4
Dipeptidyl peptidase 4 inhibitor AGN-PC-046QKE family 3 5
Histamine H4 receptor ligand SureCN602132 family 1 8
Vascular endothelial growth factor receptor 2 ligand AC1LLCDM ... 1 2
Inositol monophosphatase 1 and 15-hydroxyprostaglandin dehydro... 1 0
Prelamin-A/C inhibitor CHEMBL1503535 family 1 0
Cellular tumor antigen p53 and Thyrotropin receptor ligand CHE... 1 5
Adenosine receptor A3 and Adenosine receptor A1 ligand (8R)-8-... 4 0
C-C chemokine receptor type 5 and Potassium voltage-gated chan... 21 32
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand AGN-P... 2 18
Adenosine receptor A2a and Adenosine receptor A2b ligand SureC... 2 2
Toll-like receptor 7 ligand 6-amino-2-(butylamino)-9-[[4-(dime... 5 4
Melanin-concentrating hormone receptor 1 ligand SureCN3334191 ... 4 7
Metabotropic glutamate receptor 5 ligand SureCN3866791 family 2 10
Dipeptidyl peptidase 4 and Potassium voltage-gated channel sub... 4 8
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 10 14
Sodium-dependent serotonin transporter and 5-hydroxytryptamine... 1 0
C-X-C chemokine receptor type 3 ligand 3-amino-6-chloro-5-[(3S... 11 1
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 5 4
Sodium- and chloride-dependent glycine transporter 1 and Sodiu... 4 8
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor CHEMBL2... 13 2
Aurora kinase B and Cyclin-dependent kinase 1 inhibitor 7-cycl... 3 16
Vascular endothelial growth factor receptor 2 ligand (3Z)-6-fl... 4 3
Platelet-derived growth factor receptor beta and Vascular endo... 5 12
Adenosine receptor A3 ligand 3-(cyclopropylmethyl)-8-methoxy-1... 1 0
cGMP-specific 3',5'-cyclic phosphodiesterase inhibitor CHEMBL2... 1 0
Cathepsin K inhibitor SureCN4138062 family 7 0
Type-1 angiotensin II receptor and Type-2 angiotensin II recep... 35 14
Prothrombin inhibitor 2-[4-methyl-5-[[[2-[6-methyl-2-oxo-3-(2-... 1 0
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-speci... 1 2
Adenosine receptor A1 ligand 3-(4-Aminophenethyl)-8-(3-noradam... 1 0
B1 bradykinin receptor ligand AGN-PC-077LWO family 2 0
Cannabinoid receptor 2 and Cannabinoid receptor 1 ligand SureC... 9 0
Corticotropin-releasing factor receptor 1 ligand AGN-PC-02ZKZ9... 9 12
Alpha-1B adrenergic receptor and Alpha-1D adrenergic receptor ... 2 0
Adenosine receptor A2a and Adenosine receptor A1 ligand 3,7-di... 1 1
cAMP-specific 3',5'-cyclic phosphodiesterase 4D and cAMP-speci... 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00276588 CHEMBL371404 Bioactive SureCN14016234
CFAMM00276570 CHEMBL490014 Bioactive 1,3,7-triethyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione
CFAMM00276561 CHEMBL489592 Bioactive 1,3-diethyl-7-methyl-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]purine-2,6-dione
CFAMM00276529 DNC013830 Investigative Drug (E,E)-8-[4-(3-Bromophenyl)butadien-1-yl]caffeine
CFAMM00276528 DNC013831 Investigative Drug (E,E)-8-[4-(3-Chlorophenyl)butadien-1-yl]caffeine
CFAMM00276548 DNC013829 Investigative Drug (E,E)-8-[4-(3-Fluorophenyl)butadien-1-yl]caffeine
CFAMM00276538 DNC013828 Investigative Drug (E,E)-8-(4-Phenylbutadien-1-yl)caffeine
CFAMM00276550 DNC009429 Investigative Drug (E)-8-(3-chlorostyryl)-caffeine

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
 

 

48682 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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543