DABRAFENIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H20F3N5O2S2
Molecular Weight	519.562
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DABRAFENIB

Structure Search

SMILES

CC(C)(C)C1=NC(=C(S1)C2=NC(N)=NC=C2)C3=CC=CC(NS(=O)(=O)C4=C(F)C=CC=C4F)=C3F

InChI

InChIKey=BFSMGDJOXZAERB-UHFFFAOYSA-N

InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)

HIDE SMILES / InChI

Molecular Formula	C23H20F3N5O2S2
Molecular Weight	519.562
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 22:10:35 UTC 2023` Edited by `admin` on `Fri Dec 15 22:10:35 UTC 2023`
Record UNII	QGP4HA4G1B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DABRAFENIB

Official Name

English

Dabrafenib [WHO-DD]

Common Name

English

GSK-2118436A

Code

English

DABRAFENIB [MI]

Common Name

English

GSK2118436A

Code

English

GSK2118436

Common Name

English

GSK-2118436

Code

English

DABRAFENIB [USAN]

Common Name

English

DABRAFENIB [VANDF]

Common Name

English

BENZENESULFONAMIDE, N-(3-(5-(2-AMINO-4-PYRIMIDINYL)-2-(1,1-DIMETHYLETHYL)-4-THIAZOLYL)-2-FLUOROPHENYL)-2,6-DIFLUORO-

Systematic Name

English

N-(3-(5-(2-AMINOPYRIMIDIN-4-YL)-2-TERT-BUTYL-1,3-THIAZOL-4-YL)-2-FLUOROPHENYL)-2,6-DIFLUOROBENZENESULFONAMIDE

Systematic Name

English

dabrafenib [INN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

775820

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

FDA ORPHAN DRUG

521616

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

WHO-ATC

L01XE23

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

NCI_THESAURUS

C155322

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

FDA ORPHAN DRUG

495915

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

EMA ASSESSMENT REPORTS

TAFINLAR (AUTHORIZED: MELANOMA)

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

WHO-VATC

QL01XE23

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

FDA ORPHAN DRUG

376812

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

FDA ORPHAN DRUG

329610

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

FDA ORPHAN DRUG

448214

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

FDA ORPHAN DRUG

506415

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

Code System Code Type Description

NDF-RT

N0000190108

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B3 Inhibitors [MoA]

MERCK INDEX

m11719

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

CAS

1195765-45-7

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000185506

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Cytochrome P450 3A4 Inducers [MoA]

CHEBI

75045

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000190107

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B1 Inhibitors [MoA]

ChEMBL

CHEMBL2028663

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000185507

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Cytochrome P450 2C9 Inducers [MoA]

EVMPD

SUB45696

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

DRUG CENTRAL

4801

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

INN

9458

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000185607

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Cytochrome P450 2C19 Inducers [MoA]

NDF-RT

N0000187064

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Cytochrome P450 2B6 Inducers [MoA]

PUBCHEM

44462760

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000190110

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Organic Anion Transporter 1 Inhibitors [MoA]

IUPHAR

6494

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

FDA UNII

QGP4HA4G1B

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

DRUG BANK

DB08912

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

SMS_ID

100000131505

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000187063

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Cytochrome P450 2C8 Inducers [MoA]

NCI_THESAURUS

C82386

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

LACTMED

Dabrafenib

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000190113

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Breast Cancer Resistance Protein Inhibitors [MoA]

EPA CompTox

DTXSID20152499

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

WIKIPEDIA

Dabrafenib

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

RXCUI

1424911

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

RxNorm

DAILYMED

QGP4HA4G1B

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

NDF-RT

N0000190111

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Organic Anion Transporter 3 Inhibitors [MoA]

USAN

XX-156

Created by admin on Fri Dec 15 22:10:35 UTC 2023 , Edited by admin on Fri Dec 15 22:10:35 UTC 2023

PRIMARY

Related Record Type Details


					66DDF797LP

OATP-8

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					B6DC89I63E

DABRAFENIB MESYLATE

SALT/SOLVATE -> PARENT

Amount:


					5XY6H1L8TA

RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE

TARGET -> INHIBITOR

Comments:

An ATP competitive inhibitor.

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

IC50

Amount:


					U7FKT8J0J3

SERINE/THREONINE-PROTEIN KINASE B-RAF V600E

TARGET -> INHIBITOR

Comments:

An ATP competitive inhibitor. Binding assay

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

IC50

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> INHIBITOR

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> NON-INHIBITOR

Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR

Comments:

[i}/IC50= 2.03; CMAX=2.84

Qualification:

IC50

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE

Amount:


					5XY6H1L8TA

RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE

TARGET -> INHIBITOR

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INDUCER

Amount:

Related Record Type Details


					K8LO461TMR

CARBOXY DARAFENIB

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					3EHQ1EWE0D

DESMETHYL DABRAFENIB

METABOLITE ACTIVE -> PARENT

Comments:

Desmethyl-dabrafenib is likely to contribute to the clinical activity of dabrafenib. Carboxy-dabrafenib can be decarboxylated via a non-enzymatic process in the gut to form desmethyl-dabrafenib and reabsorbed.

Qualification:

FECAL; PLASMA

Amount:

Related Record Type Details


					QGP4HA4G1B

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC