CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00008267" in compound.

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CFAM Mol ID CFAMM00008267
Family CFFAD48 DNA binder anthracycline analog Doxorubicin family
Superfamily CFSAD47 Binder Superfamily
Class CFCAD47 Class 47
External ID DAP000050 External Source TTD
PubChem CID 42890 Functional Category Approved Drug
Molecule Name Idarubicin
IUPAC Name (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms Idamycin;Idarubicina;Idarubicine;Idarubicinum;4-Demethoxydaunorubicin;58957-92-9;idarubicin hydrochloride;IMI-30;Idarubicine [INN-French];Idarubicinum [INN-Latin]
InChi InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
InChiKey XDXDZDZNSLXDNA-TZNDIEGXSA-N
Formula C26H27NO9 Molecular Weight 497.49
Cross Link CHEMBL1117 DB01177
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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