CFam Chemical Families Database
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You are searching for "CFAMM00088934" in compound.

Total 1 results found.

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 CFAMM00088934
Family CFFAD612 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor Lapatinib Family
Superfamily CFSAD523 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor Lapatinib Superfamily
Class CFCAD481 Class 481
External ID CHEMBL1076241 External Source CHEMBL
PubChem CID 11679357 Functional Category Bioactive
Molecule Name Tykerb
IUPAC Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
Synonyms Tyverb;Tykerb Ditosylate;GW-572016F Ditosylate;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid;N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine Bis(4-methylbenzenesulfonate) Ditosylate;AGN-PC-00DZHK;MLS004774143;CHEBI:711648;DNC010650
InChi InChI=1S/C29H26ClFN4O4S.C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2-5H,1H3,(H,8,9,10)
InChiKey OZDXXJABMOYNGY-UHFFFAOYSA-N
Formula C36H34ClFN4O7S2 Molecular Weight 753.26
Cross Link CHEMBL1076241
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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