AG-13958 MONOHYDRATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H22FN7O.H2O
Molecular Weight	485.5129
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CN1N=C(C)C=C1C(=O)NC2=C(F)C=CC(NC3=CC4=C(C=C3)C(\C=C\C5=CC=CC=N5)=NN4)=C2

InChI

InChIKey=CEEBKRSSENLBDD-YGCVIUNWSA-N

InChI=1S/C26H22FN7O.H2O/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);1H2/b11-8+;

HIDE SMILES / InChI

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Age-related macular degeneration 20 Sources: https://clinicaltrials.gov/ct2/show/NCT00090532	Primary		Phase II 1147	Unknown Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252	inhibitor 2438

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP2C8 1057 CYP1A2 2153	CYP 450 32

Drug as perpetrator

Target	Modality	Activity
CYP3A4 2633	inhibitor 4027 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 1 uM]
CYP2C8 1117	inhibitor 4027 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 1.5 uM]
CYP2C9 2497	inhibitor 4027 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 10 uM]
CYP1A2 2333	inhibitor 4027 Sources: https://iovs.arvojournals.org/article.aspx?articleid=2404787	yes [IC50 11 uM]

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
CYP 450 32	substrate 4014 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
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
Matrix Scientific	132640	http://www.matrixscientific.com/132640.html
mcule	MCULE-5019330246	https://mcule.com/MCULE-5019330246/
MedChem Express	HY-15492	https://www.medchemexpress.com/search.html?q=HY-15492&ft=&fa=&fp=
Molcore	MC107079	http://www.molcore.com/CatMC107079.html
MolPort	MolPort-021-804-905	https://www.molport.com/shop/molecule-link/MolPort-021-804-905
MuseChem	I001401	https://www.musechem.com/product/I001401.html
ShangHai Biochempartner	BCP01979	http://www.biochempartner.com/search_BCP01979

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 `Tue Apr 01 18:44:15 GMT 2025` Edited by `admin` on `Tue Apr 01 18:44:15 GMT 2025`
Record UNII	15VTU0Z1XL
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

Preferred Name

English

AG-13958 MONOHYDRATE

Common Name

English

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

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-, MONOHYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

15VTU0Z1XL

Created by admin on Tue Apr 01 18:44:15 GMT 2025 , Edited by admin on Tue Apr 01 18:44:15 GMT 2025

PRIMARY

PUBCHEM

126961375

Created by admin on Tue Apr 01 18:44:15 GMT 2025 , Edited by admin on Tue Apr 01 18:44:15 GMT 2025

PRIMARY

CAS

865411-27-4

Created by admin on Tue Apr 01 18:44:15 GMT 2025 , Edited by admin on Tue Apr 01 18:44:15 GMT 2025

PRIMARY

Related Record Type Details


					BK72RP7F7D

AG-13958

PARENT -> SALT/SOLVATE


					BK72RP7F7D

AG-13958

ANHYDROUS->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