OLUTASIDENIB

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Synonyms
Status
Molecule Category Free-form
UNII 0T4IMT8S5Z

Structure

InChI Key NEQYWYXGTJDAKR-JTQLQIEISA-N
Smiles C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O
InChI
InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15ClN4O2
Molecular Weight 354.8
AlogP 2.92
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 90.68
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 6-114 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6-114 - - -

Target Conservation

Protein: Isocitrate dehydrogenase [NADP] cytoplasmic
Description: Isocitrate dehydrogenase [NADP] cytoplasmic
Organism : Homo sapiens
O75874 ENSG00000138413

Cross References

Resources Reference
ChEMBL CHEMBL4297610
DrugBank DB16267
FDA SRS 0T4IMT8S5Z
Guide to Pharmacology 10319
PDB PWV
SureChEMBL SCHEMBL17603134
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