NMS-P937

Ligand id: 7918

Name: NMS-P937

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 134.66
Molecular weight 532.22
XLogP 0.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
Synonyms
NMS P937 | NMS-1286937 | NMS1286937
Database Links
CAS Registry No. 1034616-18-6
ChEMBL Ligand CHEMBL1738758
PubChem CID 49792852
RCSB PDB Ligand 937
Search Google for chemical match using the InChIKey QHLVBNKYJGBCQJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QHLVBNKYJGBCQJ
Search UniChem for chemical match using the InChIKey QHLVBNKYJGBCQJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QHLVBNKYJGBCQJ
SynPHARM 80808 (in complex with polo like kinase 1)
Comments
NMS-P937 is an orally available, selective polo-like kinase 1 (PLK1) inhibitor. Its discovery is described in [1], where it is compound 7g.