balamapimod

Ligand id: 9925

Name: balamapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 107.54
Molecular weight 573.21
XLogP 3.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
International Nonproprietary Names
INN number INN
8813 balamapimod
Synonyms
MKI-833 | MKI833
Comments
Balamapimod (MKI-833) is an orally active, reversible kinase inhibitor that was developed for antineoplastic potential. It has a selectivity profile that includes inhibition of Ras/Raf/MEK/MAPK signalling pathway. The chemical structure is claimed as Example 11 in patent US20090062281A1 [1].
Database Links
CAS Registry No. 863029-99-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL2104954
GtoPdb PubChem SID 363894219
PubChem CID 11478684
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