ENASIDENIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H17F6N7O
Molecular Weight	473.375
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENASIDENIB

Structure Search

SMILES

CC(C)(O)CNC1=NC(NC2=CC=NC(=C2)C(F)(F)F)=NC(=N1)C3=CC=CC(=N3)C(F)(F)F

InChI

InChIKey=DYLUUSLLRIQKOE-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C19H17F6N7O
Molecular Weight	473.375
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:27:04 UTC 2023` Edited by `admin` on `Sat Dec 16 11:27:04 UTC 2023`
Record UNII	3T1SS4E7AG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ENASIDENIB

Official Name

English

ENASIDENIB [MI]

Common Name

English

AG-221

Code

English

2-METHYL-1-(4-(6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-6-(2-(TRIFLUOROMETHYL)PYRIDIN-4-YLAMINO)-1,3,5-TRIAZIN-2-YLAMINO)PROPAN-2-OL

Systematic Name

English

ENASIDENIB [USAN]

Common Name

English

Enasidenib [WHO-DD]

Common Name

English

2-PROPANOL, 2-METHYL-1-((4-(6-(TRIFLUOROMETHYL)-2-PYRIDINYL)-6-((2-(TRIFLUOROMETHYL)-4-PYRIDINYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-

Systematic Name

English

enasidenib [INN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

434514

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

NDF-RT

N0000193615

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

NCI_THESAURUS

C137826

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

WHO-ATC

L01XX59

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

Code System Code Type Description

CAS

1446502-11-9

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

PUBCHEM

89683805

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

DRUG BANK

DB13874

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

NCI_THESAURUS

C111573

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

CHEBI

145374

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

USAN

DE-54

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

SMS_ID

100000175231

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

FDA UNII

3T1SS4E7AG

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

MERCK INDEX

m12047

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

CAS

1802003-09-3

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

NO STRUCTURE GIVEN

LACTMED

Enasidenib

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

INN

10162

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

WIKIPEDIA

Enasidenib

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

EPA CompTox

DTXSID801027942

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

RXCUI

1940332

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

DRUG CENTRAL

5251

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

DAILYMED

3T1SS4E7AG

Created by admin on Sat Dec 16 11:27:06 UTC 2023 , Edited by admin on Sat Dec 16 11:27:06 UTC 2023

PRIMARY

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					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> SUBSTRATE


					3T1SS4E7AG

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					2Z5HW3OR67

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B15

METABOLIC ENZYME -> SUBSTRATE


					UF6PC17XAV

ENASIDENIB MESYLATE

SALT/SOLVATE -> PARENT


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> SUBSTRATE


					3T1SS4E7AG

CUMULATIVE EXCRETION

Qualification:

FECAL

Amount:


					3T1SS4E7AG

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE


					2Z7LDE78YX

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A4

METABOLIC ENZYME -> SUBSTRATE


					0M77ZW789J

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 2B7

METABOLIC ENZYME -> SUBSTRATE


					3T1SS4E7AG

CUMULATIVE EXCRETION

Qualification:

URINE

Amount:


					3318TFY23Q

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9

METABOLIC ENZYME -> SUBSTRATE


					0UY97CSG1T

CYTOCHROME P450 2B6

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> SUBSTRATE


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> NON-SUBSTRATE


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					IHQ709299P

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3

METABOLIC ENZYME -> SUBSTRATE


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> NON-SUBSTRATE

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METABOLITE ACTIVE -> PARENT


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METABOLITE ACTIVE -> PARENT

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					3T1SS4E7AG

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

PERMEABILITY	CHEMICAL				MEMBRANE TYPE
Tmax	PHARMACOKINETIC