AG-13958 MONOHYDROCHLORIDE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H22FN7O.ClH
Molecular Weight	503.959
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN1N=C(C)C=C1C(=O)NC2=CC(NC3=CC=C4C(NN=C4\C=C\C5=NC=CC=C5)=C3)=CC=C2F

InChI

InChIKey=BRTPJWBYMBBEHE-YGCVIUNWSA-N

InChI=1S/C26H22FN7O.ClH/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17;/h3-15,29H,1-2H3,(H,30,35)(H,31,32);1H/b11-8+;

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C26H22FN7O
Molecular Weight	467.4976
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Description
Sources: https://www.pfizer.com/files/annualreport/2006/annual/review2006.pdf

Pfizer developed AG-013958, also known as AG-13958 for treatment of age-related macular degeneration (AMD). As a VEGFR tyrosine kinase inhibitor, AG13958 was targeted to FLT/TYK receptor inhibition.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Vascular endothelial growth factor receptor 11 Target ID: CHEMBL2095227 Sources: https://www.pfizer.com/files/annualreport/2006/annual/review2006.pdf	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Age-related macular degeneration 20 Sources: https://clinicaltrials.gov/ct2/show/NCT00090532	Primary		Phase II 1132	Unknown Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 1587	inhibitor 1767

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP2C8 911 CYP1A2 1524	CYP 450 31

Drug as perpetrator

Target	Modality	Activity
CYP3A4 1925	inhibitor 3277 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 1 uM]
CYP2C8 965	inhibitor 3277 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 1.5 uM]
CYP2C9 1819	inhibitor 3277 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 10 uM]
CYP1A2 1692	inhibitor 3277 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 11 uM]

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
CYP 450 31	substrate 3367 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	minimal

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY107079	https://www.001chemical.com/chem/search?q=DY107079
Alfa Chemistry	129247	http://www.alfa-chemistry.com/search.aspx?q=129247
Alfa Chemistry	ACM319460941	http://www.alfa-chemistry.com/search.aspx?q=ACM319460941
Angene	AGN-PC-0R79FI	http://www.angenechemical.com/productshow/AGN-PC-0R79FI.html
BioSynth	J-502056	https://www.biosynth.com/en/products/life-science/other-biochemicals/products/J-502056
Chem Scene	CS-0006794	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0006794
ChemShuttle	112441	https://www.chemshuttle.com/catalogsearch/result/?q=112441
Debye Scientific	DB-079007	https://www.debyesci.com/index.php?id=product&ext[cno]=DB-079007
Matrix Scientific	132640	http://www.matrixscientific.com/132640.html
MedChem Express	HY-15492	https://www.medchemexpress.com/search.html?q=HY-15492&ft=&fa=&fp=
MolPort	MolPort-021-804-905	https://www.molport.com/shop/molecule-link/MolPort-021-804-905
Molcore	MC107079	http://www.molcore.com/CatMC107079.html
MuseChem	I001401	https://www.musechem.com/product/I001401.html
ShangHai Biochempartner	BCP01979	http://www.biochempartner.com/search_BCP01979
eMolecules	45903946	https://orderbb.emolecules.com/search/#?query=45903946
eNovation Chemicals	D514546	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D514546&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-5019330246	https://mcule.com/MCULE-5019330246/

PubMed

Title	Date	PubMed
Neovascular age-related macular degeneration: potential therapies.	2008	18484796

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Other

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:12:53 GMT 2023` Edited by `admin` on `Sat Dec 16 12:12:53 GMT 2023`
Record UNII	21L6K9UC1U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AG-13958 MONOHYDROCHLORIDE

Common Name

English

1H-PYRAZOLE-5-CARBOXAMIDE, N-(2-FLUORO-5-((3-((1E)-2-(2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)AMINO)PHENYL)-1,3-DIMETHYL-, MONOHYDROCHLORIDE

Systematic Name

English

N-(2-FLUORO-5-((3-((E)-2-(2-PYRIDYL)VINYL)-1H-INDAZOL-6-YL)AMINO)PHENYL)-2,5-DIMETHYL-PYRAZOLE-3-CARBOXAMIDE, HYDROCHLORIDE

Systematic Name

English

1H-PYRAZOLE-5-CARBOXAMIDE, N-(2-FLUORO-5-((3-((1E)-2-(2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)AMINO)PHENYL)-1,3-DIMETHYL-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

69372072

Created by admin on Sat Dec 16 12:12:53 GMT 2023 , Edited by admin on Sat Dec 16 12:12:53 GMT 2023

PRIMARY

FDA UNII

21L6K9UC1U

Created by admin on Sat Dec 16 12:12:53 GMT 2023 , Edited by admin on Sat Dec 16 12:12:53 GMT 2023

PRIMARY

CAS

319463-49-5

Created by admin on Sat Dec 16 12:12:53 GMT 2023 , Edited by admin on Sat Dec 16 12:12:53 GMT 2023

PRIMARY

Related Record Type Details


					BK72RP7F7D

AG-13958

PARENT -> SALT/SOLVATE

Details

SMILES

InChI

DescriptionSources: https://www.pfizer.com/files/annualreport/2006/annual/review2006.pdf

Originator

Approval Year

Targets

Conditions

Approved Use

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Sourcing

PubMed

Sample Use Guides

Description
Sources: https://www.pfizer.com/files/annualreport/2006/annual/review2006.pdf

Drug as perpetrator