CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00394253" 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 CFAMM00394253
Family CFFBM9291 Tyrosine-protein kinase JAK2 and Focal adhesion kinase 1 inhibitor 2-[4-[4-[[7-(6-methoxypyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide family
Superfamily CFSBM4120 Focal adhesion kinase 1 and Tyrosine-protein kinase JAK2 Binder Superfamily
Class CFCBM128 Class 3178
External ID CHEMBL1923594 External Source CHEMBL
PubChem CID 57390492 Functional Category Bioactive
Molecule Name (2S)-1-[4-[4-[[7-(6-methoxypyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
IUPAC Name (2S)-1-[4-[4-[[7-(6-methoxypyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
Synonyms SureCN519897
InChi InChI=1S/C26H30N6O2/c1-18(33)17-31-13-11-20(12-14-31)19-3-6-22(7-4-19)29-26-28-16-23-8-9-24(32(23)30-26)21-5-10-25(34-2)27-15-21/h3-10,15-16,18,20,33H,11-14,17H2,1-2H3,(H,29,30)/t18-/m0/s1
InChiKey DIGUSWNOUFBFFJ-SFHVURJKSA-N
Formula C26H30N6O2 Molecular Weight 458.56
Cross Link CHEMBL1923594
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
 

 

71835 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', 'CFAMM00394253'),None, txtsearch, CFAMM00394253|