BOSUTINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H29Cl2N5O3
Molecular Weight	530.446
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BOSUTINIB

Structure Search

SMILES

COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1

InChI

InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N

InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C26H29Cl2N5O3
Molecular Weight	530.446
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 17:20:55 UTC 2023` Edited by `admin` on `Fri Dec 15 17:20:55 UTC 2023`
Record UNII	5018V4AEZ0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BOSUTINIB

Official Name

English

BOSUTINIB [USAN]

Common Name

English

BOSULIF

Common Name

English

BOSUTINIB [MI]

Common Name

English

SK-606

Code

English

BOSUTINIB [MART.]

Common Name

English

3-QUINOLINECARBONITRILE, 4-((2,4-DICHLORO-5-METHOXYPHENYL)AMINO)-6-METHYL-1-PIPERAZINYL)PROPOXY)-

Common Name

English

4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

Systematic Name

English

BOSUTINIB [VANDF]

Common Name

English

SKI-606

Code

English

bosutinib [INN]

Common Name

English

Bosutinib [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-ATC

L01XE14

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

FDA ORPHAN DRUG

274808

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

EU-Orphan Drug

EU/3/10/762

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

LIVERTOX

NBK547951

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

WHO-VATC

QL01XE14

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

NCI_THESAURUS

C155700

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

Code System Code Type Description

NDF-RT

N0000185503

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

MESH

C471992

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

CHEBI

39112

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

IUPHAR

5710

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

ChEMBL

CHEMBL288441

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

MERCK INDEX

m2627

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

Merck Index

DRUG BANK

DB06616

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

SMS_ID

100000090716

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

USAN

RR-46

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

LACTMED

Bosutinib

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

EVMPD

SUB29176

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

FDA UNII

5018V4AEZ0

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID10861568

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

RXCUI

1307619

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

RxNorm

INN

8715

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

PUBCHEM

5328940

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

DAILYMED

5018V4AEZ0

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

CHEBI

68533

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

WIKIPEDIA

BOSUTINIB

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

NCI_THESAURUS

C60809

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

DRUG CENTRAL

4359

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

CAS

380843-75-4

Created by admin on Fri Dec 15 17:20:56 UTC 2023 , Edited by admin on Fri Dec 15 17:20:56 UTC 2023

PRIMARY

Related Record Type Details


					HMG42INK7L

BREAKPOINT CLUSTER REGION PROTEIN

TARGET -> INHIBITOR


					5018V4AEZ0

BOSUTINIB

EXCRETED UNCHANGED->SUBSTANCE

Interaction Type:

IN-VIVO

Qualification:

FECAL

Amount:


					SEV29N8JND

POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2

OFF-TARGET->INHIBITOR

Amount:


					EL8FEW3TUM

MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE

TARGET -> INHIBITOR


					8897ZFQ8MU

BOSUTINIB DIHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					8EJE45ZR0I

TYROSINE-PROTEIN KINASE RECEPTOR UFO

TARGET -> INHIBITOR


					GS7PY5505H

TYROSINE-PROTEIN KINASE ABL1

TARGET -> INHIBITOR


					13U1W2G8EZ

EPHRIN TYPE-A RECEPTOR 3

TARGET -> INHIBITOR


					844ZJE6I55

BOSUTINIB MONOHYDRATE

SOLVATE->ANHYDROUS


					V6HYU3TM3V

WEE1-LIKE PROTEIN KINASE

TARGET -> INHIBITOR


					844ZJE6I55

BOSUTINIB MONOHYDRATE

SALT/SOLVATE -> PARENT


					C1P36E2V4Q

EPHRIN TYPE-B RECEPTOR 2

TARGET -> INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Comments:

a high-fat meal increased bosutinib AUC 1.7-fold and Cmax 1.8-fold compared with bosutinib administration under fasting conditions

Interaction Type:

MAJOR


					S276B35HIP

EPHRIN TYPE-A RECEPTOR 8

TARGET -> INHIBITOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					7092WS88L7

PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					EZM4KL4P89

Bosutinib methanoate

SALT/SOLVATE -> PARENT

Amount:


					66647LGP7Q

SERINE/THREONINE-PROTEIN KINASE D1

TARGET -> INHIBITOR


					1Y8BY3M6Y9

TARGET -> INHIBITOR

Interaction Type:

INHIBITOR


					5018V4AEZ0

BOSUTINIB

EXCRETED UNCHANGED->SUBSTANCE

Interaction Type:

IN-VIVO

Qualification:

URINE

Amount:

Related Record Type Details


					ESC667086F

OXYDECHLORINATED BOSUTINIB

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE


					8870T6W3VG

N-DESMETHYL BOSUTINIB

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA

Amount:


					94F331LB1W

OXYDECHLORINATED BOSUTINIB HYDROGEN SULFATE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA

Related Record Type Details


					5018V4AEZ0

BOSUTINIB

ACTIVE MOIETY

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

Volume of Distribution	PHARMACOKINETIC

Cmax	PHARMACOKINETIC				TMAX PHARMACOKINETIC DOSE PHARMACOKINETIC ROUTE OF ADMINISTRATION PHARMACOKINETIC