barasertib

Ligand id: 7332

Name: barasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 184.63
Molecular weight 587.21
XLogP 2.78
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form barasertib-hQPA
IUPAC Name
2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate
International Nonproprietary Names
INN number INN
9222 barasertib
Synonyms
AZD1152
Database Links
CAS Registry No. 722543-31-9 (source: SciFinder)
ChEMBL Ligand CHEMBL415049
PubChem CID 11497983
Search Google for chemical match using the InChIKey GBJVVSCPOBPEIT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GBJVVSCPOBPEIT
Search PubMed clinical trials barasertib
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Search UniChem for chemical match using the InChIKey GBJVVSCPOBPEIT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GBJVVSCPOBPEIT
Comments
Barasertib is a pro-drug. The phosphate group is rapidly converted to a hydroxyl group in vivo generating the active form which is a selective inhibitor of aurora kinase B.