Enasidenib mesylate (CED0017118)

Record Information

Version

1.0

Creation Date

2026-04-05 14:08:19 UTC

Update Date

2026-08-20 02:15:26 UTC

Accession Number

CHEM103658

Identification

Common Name

Enasidenib mesylate

Class

Small Molecule

Description

Enasidenib mesylate is an organic compound with the chemical formula $\text{C}_{19}\text{H}_{17}\text{F}_6\text{N}_7\text{O}$ and an average molecular weight of 473.38 g/mol. Enasidenib mesylate belongs to the aminotriazines, a subclass of triazines within the organic compounds. This compound is categorized as an organoheterocyclic compound and is utilized within the field of healthcare, pharmaceuticals, and veterinary products as an antineoplastic agent. The recorded route of exposure for this substance is oral. Enasidenib mesylate acts upon five recorded protein targets. It functions as an inhibitor of Isocitrate dehydrogenase [NADP], mitochondrial (IDH2), Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1), Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial (IDH3A), and Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial (IDH3B), in addition to one other protein.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₇F₆N₇O

Average Molecular Mass

473.383 g/mol

Monoisotopic Mass

473.140 g/mol

CAS Registry Number

1446502-11-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)(O)CNC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C1=NC(=CC=C1)C(F)(F)F

InChI Identifier

InChI=1S/C19H17F6N7O/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/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)

InChI Key

DYLUUSLLRIQKOE-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0r6r-4412900000-6311cd6e92e5616255a4	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000900000-b86a47996972805c64a1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000900000-b1d83cdd3dadfe853ead	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4j-3119200000-2211464bb9710b74b226	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000900000-5e3768c8794a75012281	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0229-0005900000-667b2e51b04fdf2bf93b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ot-6719100000-6bdd156388070e92b607	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
972.0	Log mg/kg	[550:1700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
358	Antineoplastic agents	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Enasidenib Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Isocitrate dehydrogenase [NADP], mitochondrial	P48735	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	168.777
Click to view 3D structure	Isocitrate dehydrogenase [NADP] cytoplasmic	O75874	Humans	Predicted (SEA)	0.0778492
Click to view 3D structure	Phosphatidylinositol 4-kinase type 2-beta	Q8TCG2	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	85.7898
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	912.237
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	969.067
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	743.382
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	723.764
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	878.061
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	805.662
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	835.4
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit PRKX	P51817	Humans	Predicted (SEA)	580.444
Click to view 3D structure	Ribosomal protein S6 kinase alpha-3	P51812	Humans	Predicted (SEA)	722.519
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	1244.58
Click to view 3D structure	Tyrosine-protein kinase receptor TYRO3	Q06418	Humans	Predicted (SEA)	638.519
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	748.909
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	693.792
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	1007.37
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	745.873
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	819.052
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	819.207
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	744.394
Click to view 3D structure	MAP/microtubule affinity-regulating kinase 3	P27448	Humans	Predicted (SEA)	659.305
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	874.247