prexasertib

Ligand id: 9549

Name: prexasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 134.76
Molecular weight 365.16
XLogP 1.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
International Nonproprietary Names
INN number INN
10276 prexasertib
Synonyms
LY2606368
Database Links
CAS Registry No. 1234015-52-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL3544911
PubChem CID 46700756
Search Google for chemical match using the InChIKey DOTGPNHGTYJDEP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DOTGPNHGTYJDEP
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Search UniChem for chemical match using the InChIKey DOTGPNHGTYJDEP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DOTGPNHGTYJDEP
Comments
Prexasertib (LY2606368), an investigational small molecule checkpoint kinase 1 (CHK1) inhibitor [2] that exhibits anti-tumour activity in preclinical models of pediatric cancer.