ipatasertib

Ligand id: 7887

Name: ipatasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 81.59
Molecular weight 457.22
XLogP 2.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
International Nonproprietary Names
INN number INN
9633 ipatasertib
Synonyms
GDC-0068
Database Links
CAS Registry No. 1001264-89-6
ChEMBL Ligand CHEMBL2177390
PubChem CID 24788740
RCSB PDB Ligand 0RF
Search Google for chemical match using the InChIKey GRZXWCHAXNAUHY-NSISKUIASA-N
Search Google for chemicals with the same backbone GRZXWCHAXNAUHY
Search PubMed clinical trials ipatasertib
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Search UniChem for chemical match using the InChIKey GRZXWCHAXNAUHY-NSISKUIASA-N
Search UniChem for chemicals with the same backbone GRZXWCHAXNAUHY
SynPHARM 80753 (in complex with AKT serine/threonine kinase 1)
Comments
Ipatasertib is an inhibitor of the AKT family of protein kinases [1]. The synthesis of ipatasertib is described in patent WO2008006040 [2] and [1] where it is compound 28 (the Supporting Information for this article contains activity data for compound 28 against a full kinase screening panel). This compound is also represented on PubChem by CID 23649210.