CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00212536" 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.

Search Results

CFAM Mol ID CFAMM00212536
Family CFFID501 5-hydroxytryptamine receptor 2B Ligand Sb 206553 Family
Superfamily CFSCD482 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform and Serine/threonine-protein kinase mTOR Inhibitor BEZ235 Superfamily
Class CFCAD147 Class 147
External ID DNC001282 External Source TTD
PubChem CID 11957707 Functional Category Investigative Drug
Molecule Name SB 206553 hydrochloride
IUPAC Name 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochloride
Synonyms NCGC00094422-01;DSSTox_CID_22622;DSSTox_RID_80061;DSSTox_GSID_42622;CAS-NOCAS_42622;SB-206553 hydrochloride hydrate;N-3-Pyridinyl-;5-Methyl-1-(3-pyridylcarbamoyl)-1,2,3,5-tetrahydropyrrolo[2,3-f]indole hydrochloride hydrate;EU-0101163;AGN-PC-00IQW8
InChi InChI=1S/C17H16N4O.ClH/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14;/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22);1H
InChiKey VGEMBOFBPSNOIO-UHFFFAOYSA-N
Formula C17H17ClN4O Molecular Weight 328.80
Cross Link CHEMBL1256921
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
 

 

26821 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00212536'),None, txtsearch, CFAMM00212536|