NILOTINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H22F3N7O
Molecular Weight	529.5158
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NILOTINIB

Structure Search

SMILES

CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CC=CN=C5)=C3)=C2)C(F)(F)F

InChI

InChIKey=HHZIURLSWUIHRB-UHFFFAOYSA-N

InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)

HIDE SMILES / InChI

Molecular Formula	C28H22F3N7O
Molecular Weight	529.5158
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 `Fri Dec 15 16:23:51 UTC 2023` Edited by `admin` on `Fri Dec 15 16:23:51 UTC 2023`
Record UNII	F41401512X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NILOTINIB

Official Name

English

NILOTINIB [USAN]

Common Name

English

NILOTINIB [EMA EPAR]

Common Name

English

NILOTINIB [VANDF]

Common Name

English

BENZAMIDE, 4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)-

Systematic Name

English

NILOTINIB [HSDB]

Common Name

English

nilotinib [INN]

Common Name

English

AMN107

Code

English

NILOTINIB [USP-RS]

Common Name

English

4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO)BENZAMIDE

Systematic Name

English

NILOTINIB [MART.]

Common Name

English

Nilotinib [WHO-DD]

Common Name

English

AMN 107

Code

English

NSC-747599

Code

English

AMN-107

Code

English

NILOTINIB [MI]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

786820

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

FDA ORPHAN DRUG

788520

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

FDA ORPHAN DRUG

743720

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

WHO-ATC

L01XE08

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

LIVERTOX

NBK548443

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

FDA ORPHAN DRUG

237307

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

NDF-RT

N0000175076

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

WHO-VATC

QL01XE08

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

EU-Orphan Drug

EU/3/06/375

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

NCI_THESAURUS

C155700

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

EMA ASSESSMENT REPORTS

TASIGNA ( AUTHORIZED: LEUKEMIA , MYELOGENOUS, CHRONIC, BCR-ABL POSITIVE)

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

FDA ORPHAN DRUG

220806

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

Code System Code Type Description

DRUG CENTRAL

1932

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

USAN

TT-24

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

IUPHAR

5697

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

DRUG BANK

DB04868

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

WIKIPEDIA

Nilotinib

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

LACTMED

Nilotinib

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

ChEMBL

CHEMBL255863

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

NSC

747599

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

INN

8654

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

RS_ITEM_NUM

1463428

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

FDA UNII

F41401512X

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

HSDB

7842

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

EVMPD

SUB25225

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

DAILYMED

F41401512X

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

RXCUI

662281

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

RxNorm

SMS_ID

100000089237

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

CAS

641571-10-0

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

PUBCHEM

644241

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

EPA CompTox

DTXSID5042663

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

CHEBI

52172

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

NCI_THESAURUS

C48375

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

MERCK INDEX

m11754

Created by admin on Fri Dec 15 16:23:51 UTC 2023 , Edited by admin on Fri Dec 15 16:23:51 UTC 2023

PRIMARY

Related Record Type Details


					URP3G75J4S

MITOGEN-ACTIVATED PROTEIN KINASE 14

TARGET -> INHIBITOR


					ONY583280Z

OCT-1

TRANSPORTER -> SUBSTRATE


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Amount:


					13U1W2G8EZ

EPHRIN TYPE-A RECEPTOR 3

TARGET -> INHIBITOR


					482M00274D

OCT-2

TRANSPORTER -> SUBSTRATE


					4007E25Z4Z

OCT-3

TRANSPORTER -> INHIBITOR


					OVI08ABI5H

MAST/STEM CELL GROWTH FACTOR RECEPTOR KIT

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR


					4007E25Z4Z

OCT-3

TRANSPORTER -> SUBSTRATE


					66DDF797LP

OATP-8

TRANSPORTER -> SUBSTRATE


					5JHU0N1R6K

NILOTINIB HYDROCHLORIDE MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					FQV3UFL546

NILOTINIB HYDROCHLORIDE SESQUIHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					K37N7BYX3X

NILOTINIB HYDROCHLORIDE ANHYDROUS

SALT/SOLVATE -> PARENT

Amount:


					Y37S7HA3BC

NILOTINIB HYDROCHLORIDE DIHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					S276B35HIP

EPHRIN TYPE-A RECEPTOR 8

TARGET -> INHIBITOR


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Amount:


					GS7PY5505H

TYROSINE-PROTEIN KINASE ABL1

TARGET -> INHIBITOR

Amount:


					C1P36E2V4Q

EPHRIN TYPE-B RECEPTOR 2

TARGET -> INHIBITOR


					8URQ2WD9KN

NILOTINIB D-TARTRATE

SALT/SOLVATE -> PARENT

Amount:


					76PXB9FHYD

BCR-ABL KINASE E255K MUTANT (IMATINIB RESISTANT)

RESISTANT TARGET->INHIBITOR


					WF082S23P7

BCR-ABL KINASE T315I MUTANT (IMATINIB RESISTANT)

RESISTANT TARGET->INHIBITOR


					WM15I3PF3G

NILOTINIB DIHYDROCHLORIDE DIHYDRATE

SALT/SOLVATE -> PARENT


					R6DUQ1C64H

MITOGEN-ACTIVATED PROTEIN KINASE 11

TARGET -> INHIBITOR

Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> SUBSTRATE

Related Record Type Details


					TQ9WCS4PF0

4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOIC ACID

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					J4WJ4450U9

1-(3-((4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZOYL)AMINO)-5-(TRIFLUOROMETHYL)PHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					64944G3T8B

BEJ-866

METABOLITE ACTIVE -> PARENT

Related Record Type Details


					N96A6U3MBC

4-Methyl-N-[3-(5-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide

IMPURITY -> PARENT

Amount:


					5JHU0N1R6K

NILOTINIB HYDROCHLORIDE MONOHYDRATE

PARENT -> IMPURITY

Related Record Type Details


					F41401512X

NILOTINIB

ACTIVE MOIETY

Amount: