VEMURAFENIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H18ClF2N3O3S
Molecular Weight	489.922
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VEMURAFENIB

Structure Search

SMILES

CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(Cl)C=C4)=C(F)C=C1

InChI

InChIKey=GPXBXXGIAQBQNI-UHFFFAOYSA-N

InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula	C23H18ClF2N3O3S
Molecular Weight	489.922
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 18:32:13 UTC 2023` Edited by `admin` on `Fri Dec 15 18:32:13 UTC 2023`
Record UNII	207SMY3FQT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VEMURAFENIB

Official Name

English

RG 7204

Code

English

VEMURAFENIB [ORANGE BOOK]

Common Name

English

ZELBORAF

Brand Name

English

N-(3-((5-(4-CHLOROPHENYL)-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)CARBONYL)-2,4- DIFLUOROPHENYL)PROPANE-1-SULFONAMIDE

Systematic Name

English

VEMURAFENIB [VANDF]

Common Name

English

RO-51-85426

Code

English

VEMURAFENIB [MART.]

Common Name

English

VEMURAFENIB [USAN]

Common Name

English

PLX-4032

Code

English

RO 5185426

Code

English

RO-5185426

Code

English

VEMURAFENIB [JAN]

Common Name

English

Vemurafenib [WHO-DD]

Common Name

English

vemurafenib [INN]

Common Name

English

1-PROPANESULFONAMIDE, N-(3-((5-(4-CHLOROPHENYL)-1H-PYRROLO(2,3-B)PYRIDIN-3- YL)CARBONYL)-2,4-DIFLUOROPHENYL)-

Systematic Name

English

VEMURAFENIB [MI]

Common Name

English

PLX4032

Code

English

RG-7204

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

325310

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

FDA ORPHAN DRUG

444114

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

EMA ASSESSMENT REPORTS

ZELBORAF (AUTHORIZED: MELANOMA)

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

EU-Orphan Drug

EU/3/17/1846

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

FDA ORPHAN DRUG

444314

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

WHO-VATC

QL01XE15

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

LIVERTOX

NBK548656

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

FDA ORPHAN DRUG

529616

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

FDA ORPHAN DRUG

399213

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

NCI_THESAURUS

C2189

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

WHO-ATC

L01XE15

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

Code System Code Type Description

IUPHAR

5893

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

RXCUI

1147220

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

RxNorm

EVMPD

SUB32161

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

NDF-RT

N0000185503

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

PUBCHEM

42611257

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

MERCK INDEX

m11408

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

Merck Index

DRUG CENTRAL

4185

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

CHEBI

63637

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

INN

9286

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

NCI_THESAURUS

C64768

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

LACTMED

Vemurafenib

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

ChEMBL

CHEMBL1229517

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

FDA UNII

207SMY3FQT

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

MESH

C551177

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

CAS

918504-65-1

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

HSDB

8143

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID50238710

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

USAN

YY-42

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

DAILYMED

207SMY3FQT

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

DRUG BANK

DB08881

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

NDF-RT

N0000182138

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

Cytochrome P450 1A2 Inhibitors [MoA]

SMS_ID

100000124528

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

WIKIPEDIA

VEMURAFENIB

Created by admin on Fri Dec 15 18:32:13 UTC 2023 , Edited by admin on Fri Dec 15 18:32:13 UTC 2023

PRIMARY

Related Record Type Details


					207SMY3FQT

EXCRETED UNCHANGED

Comments:

From the human mass balance trial (NP25158), the mean percent of 14 C-vemurafenib related material recovered in feces and urine within 432 hrs pos t-dose was 94.1% and 0.97%, respectively.

Qualification:

FECAL

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Comments:

MDCKII- MDR1 cells.

Qualification:

IC50

Amount:


					5XY6H1L8TA

RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE

TARGET -> INHIBITOR

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					207SMY3FQT

EXCRETED UNCHANGED

Comments:

From the human mass balance trial (NP25158), the mean percent of 14 C-vemurafenib related material recovered in feces and urine within 432 hrs pos t-dose was 94.1% and 0.97%, respectively.

Qualification:

URINE

Amount:


					K5SYG5875K

Vemurafenib C-11

LABELED -> NON-LABELED

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					U7FKT8J0J3

SERINE/THREONINE-PROTEIN KINASE B-RAF V600E

TARGET -> INHIBITOR

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

IC50

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Comments:

MDCKII- MDR1 cells.

Qualification:

IC50

Amount:

Related Record Type Details


					207SMY3FQT

ACTIVE MOIETY

Qualification:

FECAL; URINE

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC