TEPOTINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H28N6O2
Molecular Weight	492.5716
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TEPOTINIB

Structure Search

SMILES

CN1CCC(COC2=CN=C(N=C2)C3=CC(CN4N=C(C=CC4=O)C5=CC(=CC=C5)C#N)=CC=C3)CC1

InChI

InChIKey=AHYMHWXQRWRBKT-UHFFFAOYSA-N

InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3

HIDE SMILES / InChI

Molecular Formula	C29H28N6O2
Molecular Weight	492.5716
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 09:46:16 UTC 2023` Edited by `admin` on `Sat Dec 16 09:46:16 UTC 2023`
Record UNII	1IJV77EI07
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TEPOTINIB

Official Name

English

MSC-2156119

Code

English

tepotinib [INN]

Common Name

English

MSC2156119

Code

English

EMD-1214063

Code

English

Tepotinib [WHO-DD]

Common Name

English

EMD1214063

Code

English

TEPOTINIB [USAN]

Common Name

English

MSC-2156119J

Code

English

BENZONITRILE, 3-(1,6-DIHYDRO-1-((3-(5-((1-METHYL-4-PIPERIDINYL)METHOXY)-2-PYRIMIDINYL)PHENYL)METHYL)-6-OXO-3-PYRIDAZINYL)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1967

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

FDA ORPHAN DRUG

679719

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

Code System Code Type Description

DAILYMED

1IJV77EI07

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

PUBCHEM

25171648

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

EPA CompTox

DTXSID70149132

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

WIKIPEDIA

Tepotinib

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

DRUG BANK

DB15133

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

RXCUI

2477103

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

CAS

1100598-32-0

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

INN

9934

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

ChEMBL

CHEMBL3402762

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

FDA UNII

1IJV77EI07

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

USAN

HI-32

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

SMS_ID

100000175303

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

NCI_THESAURUS

C88314

Created by admin on Sat Dec 16 09:46:17 UTC 2023 , Edited by admin on Sat Dec 16 09:46:17 UTC 2023

PRIMARY

Related Record Type Details


					8B73AZL5XP

TEPOTINIB HYDROCHLORIDE ANHYDROUS

SALT/SOLVATE -> PARENT

Amount:


					1IJV77EI07

TEPOTINIB

CUMULATIVE EXCRETION

Qualification:

URINE

Amount:


					QA085PMU8Q

HEPATOCYTE GROWTH FACTOR RECEPTOR

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					1IJV77EI07

TEPOTINIB

CUMULATIVE EXCRETION

Qualification:

FECAL

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Protein binding of tepotinib is 98% and is independent of drug concentration at clinically relevant exposures.

Amount:


					RES3V2K0VC

MELATONIN MT2 RECEPTOR

TARGET -> INHIBITOR

Comments:

Tepotinib also inhibited melatonin 2 and imidazoline 1 receptors at clinically achievable concentrations.

Amount:


					VY5YX2TQ1F

TEPOTINIB HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					1IJV77EI07

TEPOTINIB

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					1IJV77EI07

TEPOTINIB

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Amount:

Related Record Type Details


					1IJV77EI07

TEPOTINIB

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC		`1IJV77EI07` TEPOTINIB

Biological Half-life	PHARMACOKINETIC		`1IJV77EI07` TEPOTINIB		ORAL ADMINISTRATION PHARMACOKINETIC IN PATIENTS WITH CANCER PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC		`1IJV77EI07` TEPOTINIB