CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00156600" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00156600
Family CFFCD419 Translocator protein Inhibitor Emapunil Family
Superfamily CFSCD381 Translocator protein and Toll-like receptor 7 Binder Superfamily
Class CFCCD214 Class 1027
External ID CHEMBL368473 External Source CHEMBL
PubChem CID 100380 Functional Category Bioactive
Molecule Name 8-beta-Pyridyltheophylline
IUPAC Name 1,3-dimethyl-8-pyridin-3-yl-7H-purine-2,6-dione
Synonyms 8-(3-Pyridyl)theophylline;Theophylline, 8-(3-pyridyl)-;8-beta-Piridilteofillina [Italian];STK658653;NSC 292894;BRN 0621137;1029-62-5;NSC292894;8-beta-Piridilteofillina;AC1L2OMP
InChi InChI=1S/C12H11N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-4-3-5-13-6-7/h3-6H,1-2H3,(H,14,15)
InChiKey XUYWNICQFANXQY-UHFFFAOYSA-N
Formula C12H11N5O2 Molecular Weight 257.25
Cross Link CHEMBL368473
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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