TAMATINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23FN6O5
Molecular Weight	470.4536
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TAMATINIB

Structure Search

SMILES

COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC

InChI

InChIKey=NHHQJBCNYHBUSI-UHFFFAOYSA-N

InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula	C22H23FN6O5
Molecular Weight	470.4536
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 `Sat Dec 16 10:58:25 UTC 2023` Edited by `admin` on `Sat Dec 16 10:58:25 UTC 2023`
Record UNII	RC3A285J2G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TAMATINIB

Common Name

English

R940406

Common Name

English

2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE, 6-((5-FLUORO-2-((3,4,5-TRIMETHOXYPHENYL)AMINO)-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-

Systematic Name

English

R-406

Common Name

English

6-(5-FLUORO-2-(3,4,5-TRIMETHOXY-PHENYLAMINO)-PYRIMIDIN-4-YLAMINO)-2,2-DIMETHYL-4H-PYRIDO(3,2-B)(1,4)OXAZIN-3-ONE

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

R-406

Created by admin on Sat Dec 16 10:58:26 UTC 2023 , Edited by admin on Sat Dec 16 10:58:26 UTC 2023

PRIMARY

PUBCHEM

11213558

Created by admin on Sat Dec 16 10:58:26 UTC 2023 , Edited by admin on Sat Dec 16 10:58:26 UTC 2023

PRIMARY

DRUG BANK

DB07159

Created by admin on Sat Dec 16 10:58:26 UTC 2023 , Edited by admin on Sat Dec 16 10:58:26 UTC 2023

PRIMARY

EPA CompTox

DTXSID30458939

Created by admin on Sat Dec 16 10:58:26 UTC 2023 , Edited by admin on Sat Dec 16 10:58:26 UTC 2023

PRIMARY

FDA UNII

RC3A285J2G

Created by admin on Sat Dec 16 10:58:26 UTC 2023 , Edited by admin on Sat Dec 16 10:58:26 UTC 2023

PRIMARY

ChEMBL

CHEMBL475251

Created by admin on Sat Dec 16 10:58:26 UTC 2023 , Edited by admin on Sat Dec 16 10:58:26 UTC 2023

PRIMARY

CAS

841290-80-0

Created by admin on Sat Dec 16 10:58:26 UTC 2023 , Edited by admin on Sat Dec 16 10:58:26 UTC 2023

PRIMARY

Related Record Type Details


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					6JBZ59HNQ7

TYROSINE-PROTEIN KINASE ZAP-70

TARGET -> INHIBITOR

Comments:

R406 bound to the ATP binding pocket of Syk and inhibited its kinase activity as an ATP-competitive inhibitor.

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

Ki

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR


					0RFO7VC96N

URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1

METABOLIC ENZYME -> INHIBITOR


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> INDUCER


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

METABOLIC ENZYME -> INHIBITOR


					JS20X60RRY

TYROSINE-PROTEIN KINASE SYK

TARGET -> INHIBITOR

Comments:

inhibited its kinase activity as an ATP-competitive inhibitor (Ki = 30 nM)

Interaction Type:

COMPETITIVE INHIBITOR

Qualification:

Ki

Amount:

Related Record Type Details


					B5MW0MGI3L

P-DE(METHOXY)-M,M-DEMETHYL-TAMATINIB

METABOLITE -> PARENT

Qualification:

FECAL


					T441NJ0BM5

2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE, 6-((2-((3,5-DIMETHOXY-4-(SULFOOXY)PHENYL)AMINO)-5-FLUORO-4-PYRIMIDINYL)AMINO)-2,2-DIMETHYL-

METABOLITE -> PARENT

Qualification:

PLASMA


					ZP3U7X9EAM

N-GLUCURONIDE R-406

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					37YV3YP3TP

O-GLUCURONIDE R-529

METABOLITE -> PARENT

Qualification:

PLASMA


					SQ8A3S5101

PRODRUG -> METABOLITE ACTIVE


					JR1IDX058G

R-529

METABOLITE -> PARENT

Related Record Type Details


					RC3A285J2G

TAMATINIB

ACTIVE MOIETY