ivosidenib

Ligand id: 9217

Name: ivosidenib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 119.29
Molecular weight 582.14
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide
Database Links
CAS Registry No. 1448347-49-6 (source: WHO INN record)
PubChem CID 71657455
Search Google for chemical match using the InChIKey WIJZXSAJMHAVGX-DHLKQENFSA-N
Search Google for chemicals with the same backbone WIJZXSAJMHAVGX
Search UniChem for chemical match using the InChIKey WIJZXSAJMHAVGX-DHLKQENFSA-N
Search UniChem for chemicals with the same backbone WIJZXSAJMHAVGX
Comments
Ivosidenib (AG-120) is an orally active, selective inhibitor of isocitrate dehydrogenase 1 (IDH1), in particular with activity against IDH1 R132H or R132C mutants. It is being investigated for its anti-cancer actions against solid and liquid tumours. It is one of the compounds claimed in patent WO2013107291, where it is Compound 176 [2] and is related to AGI-5198 also from Agios.