rabusertib

Ligand id: 7960

Name: rabusertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 97.4
Molecular weight 435.09
XLogP 1.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[5-bromo-4-methyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
International Nonproprietary Names
INN number INN
9561 rabusertib
Synonyms
LY-2603618 | LY2603618
Database Links
CAS Registry No. 911222-45-2
ChEMBL Ligand CHEMBL3039517
PubChem CID 11955855
Search Google for chemical match using the InChIKey SYYBDNPGDKKJDU-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone SYYBDNPGDKKJDU
Search PubMed clinical trials rabusertib
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Search PubMed titles/abstracts rabusertib
Search UniChem for chemical match using the InChIKey SYYBDNPGDKKJDU-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone SYYBDNPGDKKJDU
Comments
Rabusertib is an inhibitor of the cell cycle checkpoint kinase 1 (CHK1) with potential chemopotentiating activity [1-3]. It is the first selective CHK1 inhibitor to enter clinical cancer trials