alisertib

Ligand id: 7790

Name: alisertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 105.93
Molecular weight 518.12
XLogP 4.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid
International Nonproprietary Names
INN number INN
9331 alisertib
Synonyms
MLN-8237
Database Links
CAS Registry No. 1028486-01-2
ChEMBL Ligand CHEMBL483158
PubChem CID 24771867
RCSB PDB Ligand A5B
Search Google for chemical match using the InChIKey ZLHFILGSQDJULK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZLHFILGSQDJULK
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Search UniChem for chemical match using the InChIKey ZLHFILGSQDJULK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZLHFILGSQDJULK
Wikipedia Alisertib
Comments
Alisertib is a second generation, orally bioavailable and selective Aurora kinase A inhibitor.