compound 10 [PMID: 19402633]

Ligand id: 8466

Name: compound 10 [PMID: 19402633]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 102.49
Molecular weight 587.22
XLogP 5.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide
Synonyms
2,4-Bisanilinopyrimidine, 10 | Aurora A inhibitor I
Database Links
CAS Registry No. 1158838-45-9
ChEMBL Ligand CHEMBL502124
GtoPdb PubChem SID 252166676
PubChem CID 44139710
Search Google for chemical match using the InChIKey AKSIZPIFQAYJGF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AKSIZPIFQAYJGF
Search UniChem for chemical match using the InChIKey AKSIZPIFQAYJGF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AKSIZPIFQAYJGF
Comments
Compound 10 [PMID 19402633] is a highly seelctive inhibitor of Aurora kinase A compared to Aurora kinase B (1000-fold selective) [1].