CFam Chemical Families Database
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You are searching for "CFAMM00330554" in compound.

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CFAM Mol ID CFAMM00330554
Family CFFBM2111 cAMP-specific 3',5'-cyclic phosphodiesterase 4C and cAMP-specific 3',5'-cyclic phosphodiesterase 4A inhibitor AC1OCFBS family
Superfamily CFSBM1163 cAMP-specific 3',5'-cyclic phosphodiesterase 4A and cAMP-specific 3',5'-cyclic phosphodiesterase 4B Binder Superfamily
Class CFCAD513 Class 513
External ID CHEMBL542650 External Source CHEMBL
PubChem CID 45260753 Functional Category Bioactive
Molecule Name 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-4-(pyridin-3-ylmethyl)phthalazin-1-one;hydrochloride
IUPAC Name 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-4-(pyridin-3-ylmethyl)phthalazin-1-one;hydrochloride
Synonyms
InChi InChI=1S/C31H27N5O4.ClH/c1-39-27-14-21-13-22(18-37)34-30(25(21)16-28(27)40-2)20-9-11-33-29(15-20)36-31(38)24-8-4-3-7-23(24)26(35-36)12-19-6-5-10-32-17-19;/h3-11,14-17,22,37H,12-13,18H2,1-2H3;1H/t22-;/m0./s1
InChiKey WFBFZAJCCDOMCI-FTBISJDPSA-N
Formula C31H28ClN5O4 Molecular Weight 570.04
Cross Link CHEMBL542650
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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