tozasertib

Ligand id: 5718

Name: tozasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 127.37
Molecular weight 464.21
XLogP 3.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide
International Nonproprietary Names
INN number INN
9007 tozasertib
Synonyms
MK 0457 | VX 680 | VX-680
Database Links
CAS Registry No. 639089-54-6
ChEMBL Ligand CHEMBL572878
PubChem CID 5494449
RCSB PDB Ligand VX6
Search Google for chemical match using the InChIKey GCIKSSRWRFVXBI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GCIKSSRWRFVXBI
Search PubMed clinical trials tozasertib
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Search UniChem for chemical match using the InChIKey GCIKSSRWRFVXBI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GCIKSSRWRFVXBI
SynPHARM 81212 (in complex with aurora kinase A)
81214 (in complex with aurora kinase A)
81213 (in complex with aurora kinase B)
Wikipedia VX-680
Comments
Tozasertib is a potent inhibitor of all three members of the Aurora kinase family [4].