ENASIDENIB MESYLATE

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Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Salt
UNII: UF6PC17XAV
Parent Compound: ENASIDENIB

Structure
InChI Key ORZHZQZYWXEDDL-UHFFFAOYSA-N
Smile CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)O
InChI
InChI=1S/C19H17F6N7O.CH4O3S/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;1-5(2,3)4/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21F6N7O4S
Molecular Weight 569.49
AlogP 4.29
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 108.74
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Isocitrate dehydrogenase [NADP], mitochondrial inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 124-319 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 4 D015470 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
21.12
Gastrointestinal disorders
11.63
Investigations
11.1
Respiratory, thoracic and mediastinal disorders
7.28
Blood and lymphatic system disorders
6.36
Nervous system disorders
6.28
Infections and infestations
5.79
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
4.38
Cardiac disorders
4.02
Vascular disorders
3.86
Metabolism and nutrition disorders
3.3
Skin and subcutaneous tissue disorders
3.18
Musculoskeletal and connective tissue disorders
3.1
Psychiatric disorders
2.74
Injury, poisoning and procedural complications
2.13

Cross References

Resources Reference
ChEMBL CHEMBL3989931
FDA SRS UF6PC17XAV
PubChem 90480031
SureChEMBL SCHEMBL16448052
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