CFam Chemical Families Database
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You are searching for "CFAMM00439172" in compound.

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CFAM Mol ID CFAMM00439172
Family CFFBM16727 Glycogen synthase kinase-3 beta and Glycogen synthase kinase-3 alpha inhibitor 4-[[4-[(3-hydroxy-1-adamantyl)amino]-5-nitropyrimidin-2-yl]amino]benzoic acid family
Superfamily CFSBM6915 Beta-lactamase and Lysosomal alpha-glucosidase Binder Superfamily 5
Class CFCCD85 Class 898
External ID CHEMBL257575 External Source CHEMBL
PubChem CID 44448715 Functional Category Bioactive
Molecule Name 4-[[3-(3-hydroxy-1-adamantyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzoic acid
IUPAC Name 4-[[3-(3-hydroxy-1-adamantyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzoic acid
Synonyms
InChi InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)
InChiKey PPRYPAUDEQCBJS-UHFFFAOYSA-N
Formula C21H22N6O3 Molecular Weight 406.44
Cross Link CHEMBL257575
Structure

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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