IMATINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H31N7O
Molecular Weight	493.6027
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IMATINIB

Structure Search

SMILES

CN1CCN(CC2=CC=C(C=C2)C(=O)NC3=CC(NC4=NC(=CC=N4)C5=CC=CN=C5)=C(C)C=C3)CC1

InChI

InChIKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N

InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)

HIDE SMILES / InChI

Molecular Formula	C29H31N7O
Molecular Weight	493.6027
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 15:46:43 UTC 2023` Edited by `admin` on `Fri Dec 15 15:46:43 UTC 2023`
Record UNII	BKJ8M8G5HI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IMATINIB

Official Name

English

Imatinib [WHO-DD]

Common Name

English

NSC-743414

Code

English

GLAMOX

Brand Name

English

NSC-759854

Code

English

IMATINIB [VANDF]

Common Name

English

IMATINIB [MI]

Common Name

English

imatinib [INN]

Common Name

English

BENZAMIDE, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-N-(4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINOPHENYL)-

Common Name

English

IMATINIB [EMA EPAR]

Common Name

English

Classification Tree Code System Code

WHO-ATC

L01XE01

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

EMA ASSESSMENT REPORTS

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

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

FDA ORPHAN DRUG

787520

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

FDA ORPHAN DRUG

831721

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

LIVERTOX

NBK547959

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

EU-Orphan Drug

EU/3/14/1357

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

FDA ORPHAN DRUG

208905

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

NDF-RT

N0000175076

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

NCI_THESAURUS

C155700

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

FDA ORPHAN DRUG

303810

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

EMA ASSESSMENT REPORTS

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

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

EMA ASSESSMENT REPORTS

GLIVEC (AUTHORIZED: GASTROINTESTINAL STROMAL TUMORS)

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

EMA ASSESSMENT REPORTS

IMATINIB MEDAC (AUTHORIZED DERMATOFIBROSARCOMA)

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

FDA ORPHAN DRUG

140100

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

EMA ASSESSMENT REPORTS

IMANTIB ACCORD (AUTHORIZED: DERMATOFIBROSARCOMA)

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

WHO-VATC

QL01XE01

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

Code System Code Type Description

DRUG BANK

DB00619

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

CHEBI

45783

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

SMS_ID

100000091894

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

PUBCHEM

5291

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

MESH

C097613

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

EVMPD

SUB25387

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

LACTMED

Imatinib

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

NSC

743414

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

EPA CompTox

DTXSID3037125

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

RXCUI

282388

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

RxNorm

WIKIPEDIA

IMATINIB

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

INN

8031

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

DAILYMED

BKJ8M8G5HI

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

NCI_THESAURUS

C62035

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

MERCK INDEX

m6213

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

Merck Index

IUPHAR

5687

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

ChEMBL

CHEMBL941

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

FDA UNII

BKJ8M8G5HI

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

NSC

759854

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

DRUG CENTRAL

1423

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

CAS

152459-95-5

Created by admin on Fri Dec 15 15:46:43 UTC 2023 , Edited by admin on Fri Dec 15 15:46:43 UTC 2023

PRIMARY

Related Record Type Details


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					8A1O1M485B

Imatinib Mesylate

SALT/SOLVATE -> PARENT


					5840721PJZ

OAT-2

TRANSPORTER -> SUBSTRATE

Amount:


					ZWJ2Y6JZWY

OAT-3

TRANSPORTER -> SUBSTRATE


					2VXO9I489U

MACROPHAGE COLONY-STIMULATING FACTOR 1 RECEPTOR

TARGET -> INHIBITOR


					AIN96D6SGL

OATP1B1

TRANSPORTER -> SUBSTRATE


					482M00274D

OCT-2

TRANSPORTER -> SUBSTRATE


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

Ki

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

Ki

Amount:


					482M00274D

OCT-2

TRANSPORTER -> INHIBITOR


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> INHIBITOR

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

Ki

Amount:


					WF082S23P7

BCR-ABL KINASE T315I MUTANT (IMATINIB RESISTANT)

RESISTANT TARGET->INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					1Y8BY3M6Y9

TARGET -> INHIBITOR


					GS7PY5505H

TYROSINE-PROTEIN KINASE ABL1

TARGET -> INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Comments:

Gao et al. reported that in vitro, imatinib (1 M) increases the intracellular concentration of vincristine and mitoxantrone in cells overexpressing ABCB1 and ABCG2, respectively.

Interaction Type:

INHIBITOR

Qualification:

CLINICALLY SIGNIFICANT

Amount:


					76PXB9FHYD

BCR-ABL KINASE E255K MUTANT (IMATINIB RESISTANT)

RESISTANT TARGET->INHIBITOR


					I81U7H57XI

OAT-1

TRANSPORTER -> SUBSTRATE


					OVI08ABI5H

MAST/STEM CELL GROWTH FACTOR RECEPTOR KIT

TARGET -> INHIBITOR

Comments:

Kd; Target: KIT

Interaction Type:

INHIBITOR

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Amount:


					3M13XS26I8

OCTN-2

TRANSPORTER -> INHIBITOR


					4007E25Z4Z

OCT-3

TRANSPORTER -> INHIBITOR


					4007E25Z4Z

OCT-3

TRANSPORTER -> SUBSTRATE

Related Record Type Details


					WQJ8L8YJ7U

PRODRUG -> METABOLITE ACTIVE


					6GOH0N63QD

CGP-74588

METABOLITE ACTIVE -> PARENT

Interaction Type:

MAJOR


					6GOH0N63QD

CGP-74588

METABOLITE ACTIVE -> PARENT

Comments:

AUTOINHIBITION


					PQ7XM37MVW

IKT-001PRO CATION

PRODRUG -> METABOLITE ACTIVE

Related Record Type Details


					BKJ8M8G5HI

IMATINIB

ACTIVE MOIETY