afuresertib

Ligand id: 7890

Name: afuresertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 101.18
Molecular weight 426.05
XLogP 3.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
9666 afuresertib
Synonyms
GSK 2110183 | GSK-2110183 | GSK2110183
Database Links
CAS Registry No. 1047644-62-1 (source: PubChem)
ChEMBL Ligand CHEMBL2219422
PubChem CID 46843057
Search Google for chemical match using the InChIKey AFJRDFWMXUECEW-LBPRGKRZSA-N
Search Google for chemicals with the same backbone AFJRDFWMXUECEW
Search PubMed clinical trials afuresertib
Search PubMed titles afuresertib
Search PubMed titles/abstracts afuresertib
Search UniChem for chemical match using the InChIKey AFJRDFWMXUECEW-LBPRGKRZSA-N
Search UniChem for chemicals with the same backbone AFJRDFWMXUECEW
Comments
Afuresertib (GSK2110183) is an inhibitor of the AKT family of protein kinases [1] in clincal trials for cancer. Note that in previous releases we had mistakenly linked the structure of GSK2141795 characterised in the same paper (PubChem CID 57826797) that has an extra fluorine in the terminal ring (n.b. several vendors in PubChem still have this name-to-structure error)