volasertib

Ligand id: 7947

Name: volasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 106.17
Molecular weight 618.4
XLogP 3.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[(7R)-7-ethyl-5-methyl-6-oxo-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-[(1r,4r)-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide
International Nonproprietary Names
INN number INN
9228 volasertib
Synonyms
BI 6727
Database Links
CAS Registry No. 755038-65-4
ChEMBL Ligand CHEMBL1233528
PubChem CID 10461508
RCSB PDB Ligand IBI
Search Google for chemical match using the InChIKey SXNJFOWDRLKDSF-STROYTFGSA-N
Search Google for chemicals with the same backbone SXNJFOWDRLKDSF
Search PubMed clinical trials volasertib
Search PubMed titles volasertib
Search PubMed titles/abstracts volasertib
Search UniChem for chemical match using the InChIKey SXNJFOWDRLKDSF-STROYTFGSA-N
Search UniChem for chemicals with the same backbone SXNJFOWDRLKDSF
SynPHARM 80866 (in complex with polo like kinase 1)
Wikipedia Volasertib
Comments
Volasertib is an ATP-competitive, investigational inhibitor of polo-like kinase 1 (PLK1). It is the second in a novel class of drugs called dihydropteridinone derivatives [3]. Please note this compound is represented on PubChem by CID 10461508. This CID varies slightly in its chiral specification from our ligand entry and so is not included in the table of links above.