MUBRITINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H23F3N4O2
Molecular Weight	468.4709
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of MUBRITINIB

Structure Search

SMILES

FC(F)(F)C1=CC=C(\C=C\C2=NC(COC3=CC=C(CCCCN4C=CN=N4)C=C3)=CO2)C=C1

InChI

InChIKey=ZTFBIUXIQYRUNT-MDWZMJQESA-N

InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+

HIDE SMILES / InChI

Molecular Formula	C25H23F3N4O2
Molecular Weight	468.4709
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:24:41 UTC 2023` Edited by `admin` on `Fri Dec 15 16:24:41 UTC 2023`
Record UNII	V734AZP9BR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MUBRITINIB

Official Name

English

mubritinib [INN]

Common Name

English

1-[4-[4-[[2-[(E)-2-[4-(Trifluoromethyl)phenyl]ethenyl]oxazol-4-yl]methoxy]phenyl]butyl]-1H-1,2,3-triazole

Systematic Name

English

1H-1,2,3-TRIAZOLE, 1-(4-(4-((2-((1E)-2-(4-(TRIFLUOROMETHYL)PHENYL)ETHENYL)-4-OXAZOLYL)METHOXY)PHENYL)BUTYL)-

Systematic Name

English

MUBRITINIB [USAN]

Common Name

English

TAK-165

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C2167

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

Code System Code Type Description

FDA UNII

V734AZP9BR

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

INN

8446

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

PUBCHEM

6444692

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

ChEMBL

CHEMBL1614707

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

NCI_THESAURUS

C66212

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

WIKIPEDIA

Mubritinib

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID501026014

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

DRUG BANK

DB12682

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

USAN

PP-49

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

EVMPD

SUB193705

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

CAS

366017-09-6

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

SMS_ID

100000178103

Created by admin on Fri Dec 15 16:24:41 UTC 2023 , Edited by admin on Fri Dec 15 16:24:41 UTC 2023

PRIMARY

Related Record Type Details


					7J9Y28299R

RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					V734AZP9BR

ACTIVE MOIETY

Amount: