CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00073343" in compound.

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CFAM Mol ID CFAMM00073343
Family CFFAD537 Prostaglandin G/H synthase 2 Inhibitor Celecoxib Family
Superfamily CFSAD466 Prostaglandin G/H synthase 2 Inhibitor Celecoxib Superfamily
Class CFCAD428 Class 428
External ID DNC013834 External Source TTD
PubChem CID 9908776 Functional Category Investigative Drug
Molecule Name Primary alcohol metabolite of celecoxib
IUPAC Name 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Synonyms 170571-00-3;Hydroxy Celecoxib;4-(5-(4-Hydroxymethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide;4-[5-(4-Hydroxymethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide;4'-Hydroxycelecoxib;Celecoxib metabolite M3;CHEMBL745;UNII-1DIW8DT7Q3;AGN-PC-088NJC;SureCN6013984
InChi InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
Formula C17H14F3N3O3S Molecular Weight 397.37
Cross Link CHEMBL745

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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