enasidenib

Ligand id: 8960

Name: enasidenib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 108.74
Molecular weight 473.14
XLogP 5.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
International Nonproprietary Names
INN number INN
10162 enasidenib
Synonyms
AG-221 | CC-90007 | Idhifa®
Database Links
CAS Registry No. 1446502-11-9 (source: WHO INN record)
GtoPdb PubChem SID 310264741
PubChem CID 89683805
RCSB PDB Ligand 69Q
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Comments
Enasidenib (AG-221) is an orally available inhibitor of isocitrate dehygrogenase 2 (IDH2), that is approved as an antineoplastic agent. This compound is example 409 in patent US20130190287 A1 [1].