CFAM Mol ID	CFAMM00302658
Family	CFFID4113 Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5'-phenyladenophostin A Family
Superfamily	CFSID2779 Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5'-phenyladenophostin A Superfamily
Class	CFCCD476 Class 1289
External ID	CHEMBL1162164	External Source	CHEMBL
PubChem CID	16739158	Functional Category	Bioactive
Molecule Name	[(3aR,4R,6R,6aR)-4-[6-(phenylcarbamoylamino)purin-9-yl]-2-(2-phenylethynyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
IUPAC Name	[(3aR,4R,6R,6aR)-4-[6-(phenylcarbamoylamino)purin-9-yl]-2-(2-phenylethynyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate
Synonyms
InChi	InChI=1S/C26H23N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-10,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/t18-,19?,21-,22-,25-/m1/s1
InChiKey	MPBHAGPNVWBUTJ-RBTCWQMQSA-N
Formula	C26H23N6O8P	Molecular Weight	578.47
Cross Link	CHEMBL1162164
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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