abemaciclib

Ligand id: 7382

Name: abemaciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 75
Molecular weight 506.27
XLogP 4.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
International Nonproprietary Names
INN number INN
10036 abemaciclib
Synonyms
CS-1230 | HY-16297A | LY 2835219 | LY2835219 | Verzenio®
Database Links
CAS Registry No. 1231929-97-7 (source: Scifinder)
ChEMBL Ligand CHEMBL3301610
GtoPdb PubChem SID 178103954
PubChem CID 46220502
RCSB PDB Ligand 6ZV
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Search UniChem for chemical match using the InChIKey UZWDCWONPYILKI-UHFFFAOYSA-N
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Comments
Abemaciclib (LY2835219) is a selective ATP-competitive inhibitor of the cyclin-dependent kinases CDK4 and CDK6 [6].