ilorasertib

Ligand id: 9914

Name: ilorasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 146.33
Molecular weight 488.14
XLogP 3.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
International Nonproprietary Names
INN number INN
9670 ilorasertib
Synonyms
A-968660 | ABT 348 | ABT-348 | ABT348
Comments
Ilorasertib (ABT-348) is an ATP-competitive, multi-target kinase inhibitor with activity against the Aurora kinases, the VEGFR, PDGFR and Src family kinases [1].
ABT-348's potent inhibition of Aurora B induces polyploidy, a hallmark of the essential role of Aurora B in cytokinesis.
Database Links
BindingDB Ligand 50381716
CAS Registry No. 1227939-82-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL1980297
GtoPdb PubChem SID 363894208
PubChem CID 46207586
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