barasertib-hQPA

Ligand id: 5663

Name: barasertib-hQPA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 128.29
Molecular weight 507.24
XLogP 3.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug barasertib
IUPAC Name
2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide
Synonyms
AZD-1152 | AZD-1152HQPA | AZD1152 | INH 34
Database Links
CAS Registry No. 722544-51-6
ChEMBL Ligand CHEMBL215152
GtoPdb PubChem SID 178102291
PubChem CID 16007391
RCSB PDB Ligand YJA
Search Google for chemical match using the InChIKey QYZOGCMHVIGURT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QYZOGCMHVIGURT
Search UniChem for chemical match using the InChIKey QYZOGCMHVIGURT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QYZOGCMHVIGURT
Comments
This is the active form of the phosphate pro-drug barasertib. It is an inhibitor of Aurora kinase B [2].