SB590885

Ligand id: 9389

Name: SB590885

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 65.96
Molecular weight 453.22
XLogP 3.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N,N-dimethyl-2-[4-[(4E)-4-(1-nitroso-2,3-dihydroinden-5-ylidene)-5-(1H-pyridin-4-ylidene)-1H-imidazol-2-yl]phenoxy]ethanamine
Synonyms
compound 33 [PMID: 16260133] | SB 590885 | SB-590885
Database Links
PubChem CID 11465183
Search Google for chemical match using the InChIKey DPCXEUSDRQOOGZ-YYADALCUSA-N
Search Google for chemicals with the same backbone DPCXEUSDRQOOGZ
Search UniChem for chemical match using the InChIKey DPCXEUSDRQOOGZ-YYADALCUSA-N
Search UniChem for chemicals with the same backbone DPCXEUSDRQOOGZ
Comments
SB590885 is a potent B-Raf inhibitor with 11-fold selectivity for B-Raf over c-Raf and no inhibition vs. other human kinases [2]. It is reported to stabilise the open conformation of the enzyme [1].