CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00317376" in compound.

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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.

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CFAM Mol ID CFAMM00317376
Family CFFBM922 Orexin receptor type 1 and Orexin receptor type 2 ligand AGN-PC-07ZC2O family
Superfamily CFSBM298 P2X purinoceptor 7 and Orexin receptor type 2 Binder Superfamily
Class CFCAD96 Class 96
External ID CHEMBL2087846 External Source CHEMBL
PubChem CID 70686981 Functional Category Bioactive
Molecule Name 2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(4-hydroxybut-2-ynyl)-3-(3-methylimidazol-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
IUPAC Name 2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-(4-hydroxybut-2-ynyl)-3-(3-methylimidazol-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
InChi InChI=1S/C27H24ClN7O3/c1-32-16-29-13-22(32)24-23-25(31-35(24)15-18-8-9-30-21-7-6-19(28)12-20(18)21)34(14-17-4-5-17)27(38)33(26(23)37)10-2-3-11-36/h6-9,12-13,16-17,36H,4-5,10-11,14-15H2,1H3
Formula C27H24ClN7O3 Molecular Weight 529.98
Cross Link CHEMBL2087846

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).

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