MERESTINIB

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H22F2N6O3
Molecular Weight	552.5309
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=CC2=CC(OC3=C(F)C=C(NC(=O)C4=CC=C(C)N(C4=O)C5=CC=C(F)C=C5)C=C3)=C(C=C12)C6=CNN=C6

InChI

InChIKey=QHADVLVFMKEIIP-UHFFFAOYSA-N

InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)

HIDE SMILES / InChI

Molecular Formula	C30H22F2N6O3
Molecular Weight	552.5309
Charge	0
Count

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

Description
Sources: http://www.lillyoncologypipeline.com/molecule/met-inhibitor/overview | https://www.ncbi.nlm.nih.gov/pubmed/23275061
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/27307295 https://www.ncbi.nlm.nih.gov/pubmed/23989980

Merestinib (LY2801653) is a small molecule that has been shown in vitro to be a reversible type II ATP-competitive slowoff inhibitor of MET tyrosine kinase with a dissociation constant (Ki) of 2 nM, a pharmacodynamic residence time (Koff) of 0.00132 min−1 and a half-life (t1/2) of 525 min. Preclinical testing also has shown merestinib to inhibit several other receptor tyrosine oncokinases including MST1R, FLT3, AXL, MERTK, TEK, ROS1, NTRK1/2/3, and DDR1/2 and the serine/threonine kinases MKNK1/2. Merestinib is being investigated in a phase II clinical trials in patients with biliary tract cancer, non-small cell lung cancer and solid tumours.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Hepatocyte growth factor receptor 56 Target ID: CHEMBL3717 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23275061	Inhibitor 8504		2.0 nM [Ki]

Conditions

Condition	Modality	Highest Phase	Product
Biliary tract cancer 2 Sources: https://clinicaltrials.gov/ct2/show/NCT02711553 http://adisinsight.springer.com/drugs/800033685	Primary	Phase II 1147	Unknown Approved Use Unknown
Non-small cell lung cancer 211 Sources: https://clinicaltrials.gov/ct2/show/NCT02920996	Primary	Phase II 1147	Unknown Approved Use Unknown
Solid tumors 147 Sources: https://clinicaltrials.gov/ct2/show/NCT02920996	Primary	Phase II 1147	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
401 ng/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/30833489	120 mg single, oral dose: 120 mg route of administration: Oral experiment type: SINGLE co-administered:		MERESTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
6190 ng × h/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/30833489	120 mg single, oral dose: 120 mg route of administration: Oral experiment type: SINGLE co-administered:		MERESTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
9.9 h EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/30833489	120 mg single, oral dose: 120 mg route of administration: Oral experiment type: SINGLE co-administered:		MERESTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252	inhibitor 2438	inhibitor 2507

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
P-gp 1741

Drug as perpetrator

Target	Modality	Activity
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840#sid=363678278	no
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645841#sid=363678278	no
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645842#sid=363678278	yes [IC50 2.6837 uM]
P-gp 1932	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=363678278	yes [IC50 4.6109 uM]

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY103044	https://www.001chemical.com/chem/search?q=DY103044
1PlusChem LLC	1P003B3B	https://www.1pchem.com/search?query=1P003B3B
1PlusChem LLC	1P008TY9	https://www.1pchem.com/search?query=1P008TY9
AK Scientific	3797AH	https://aksci.com/item_detail.php?cat=3797AH
AK Scientific	SYN1222	https://aksci.com/item_detail.php?cat=SYN1222
Ambeed	A221593	http://www.ambeed.com/search/Search.html?keyword=A221593
Angene	AGN-PC-0WADMM	http://www.angenechemical.com/productshow/AGN-PC-0WADMM.html
ApexBio Technology	A3573	https://www.apexbt.com/catalogsearch/result/?q=A3573
Axon MedChem	2553	https://www.axonmedchem.com/product/2553
BLD Pharm	BD280343	http://www.bldpharm.com/search/Search.html?keyword=BD280343
BLD Pharm	BD629992	http://www.bldpharm.com/search/Search.html?keyword=BD629992
Chem Scene	CS-1192	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1192
Chem Scene	CS-1438	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1438
ChemShuttle	101176	https://www.chemshuttle.com/catalogsearch/result/?q=101176
eMolecules	44827783	https://orderbb.emolecules.com/search/#?query=44827783
eMolecules	49837432	https://orderbb.emolecules.com/search/#?query=49837432
Excenen	EX-A1264	http://www.excenen.com/searchresultlist.php?id=EX-A1264
KeyOrganics	AS-16348	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-16348
Matrix Scientific	120708	http://www.matrixscientific.com/120708.html
mcule	MCULE-1457543573	https://mcule.com/MCULE-1457543573/
mcule	MCULE-9847198344	https://mcule.com/MCULE-9847198344/
MedChem Express	HY-15514	https://www.medchemexpress.com/search.html?q=HY-15514A&ft=&fa=&fp=
MedChem Express	HY-15514A	https://www.medchemexpress.com/search.html?q=HY-15514A&ft=&fa=&fp=
Molcore	MC103044	http://www.molcore.com/CatMC103044.html
MolPort	MolPort-028-720-434	https://www.molport.com/shop/molecule-link/MolPort-028-720-434
MolPort	MolPort-046-417-061	https://www.molport.com/shop/molecule-link/MolPort-046-417-061
MuseChem	I007960	https://www.musechem.com/product/I007960.html
Selleck Chemicals	S7014	http://www.selleckchem.com/search.html?searchDTO.searchParam=S7014
ShangHai Biochempartner	BCP000736	http://www.biochempartner.com/search_BCP000736
ShangHai Biochempartner	BCP06826	http://www.biochempartner.com/search_BCP06826
ShangHai Biochempartner	BCP13049	http://www.biochempartner.com/search_BCP13049

PubMed

Title	Date	PubMed
Merestinib blocks Mnk kinase activity in acute myeloid leukemia progenitors and exhibits antileukemic effects in vitro and in vivo.	2016-07-21	27307295
Inhibition of tumor growth and metastasis in non-small cell lung cancer by LY2801653, an inhibitor of several oncokinases, including MET.	2013-10-15	23989980

Patents

Sample Use Guides

In Vivo Use Guide

Merestinib at the recommended phase II dose of 120 mg by mouth daily.

Route of Administration: Oral

In Vitro Use Guide

Merestinib, in the concentration range of 0.01–10 uM, completely blocked the HGF-induced DU-145 cell scattering.

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:33:24 GMT 2025` Edited by `admin` on `Wed Apr 02 08:33:24 GMT 2025`
Record UNII	5OGS5K699E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MERESTINIB

Official Name

English

merestinib [INN]

Preferred Name

English

3-PYRIDINECARBOXAMIDE, N-(3-FLUORO-4-((1-METHYL-6-(1H-PYRAZOL-4-YL)-1H-INDAZOL-5-YL)OXY)PHENYL)-1-(4-FLUOROPHENYL)-1,2-DIHYDRO-6-METHYL-2-OXO-

Systematic Name

English

LY-2801653

Code

English

MERESTINIB [USAN]

Common Name

English

LY2801653

Code

English

N-(3-Fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

Systematic Name

English

Merestinib [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825