AG-13958

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H22FN7O
Molecular Weight	467.4976
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

SMILES

CN1N=C(C)C=C1C(=O)NC2=C(F)C=CC(NC3=CC=C4C(NN=C4\C=C\C5=CC=CC=N5)=C3)=C2

InChI

InChIKey=JXSVVZKPEDIRTN-DHZHZOJOSA-N

InChI=1S/C26H22FN7O/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)/b11-8+

HIDE SMILES / InChI

Molecular Formula	C26H22FN7O
Molecular Weight	467.4976
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Description

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	Inhibitor 8,297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Age-related macular degeneration 20	Primary		Phase II 1,132	Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 1,587	inhibitor 1,767

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP2C8 911 CYP1A2 1,524	CYP 450 31

Drug as perpetrator

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Target	Modality	Activity
CYP3A4 1,925	inhibitor 3,277	yes [IC50 1 uM]
CYP2C8 965	inhibitor 3,277	yes [IC50 1.5 uM]
CYP2C9 1,819	inhibitor 3,277	yes [IC50 10 uM]
CYP1A2 1,692	inhibitor 3,277	yes [IC50 11 uM]

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Drug as victim

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Target	Modality	Activity	Metabolite	Clinical evidence
CYP 450 31	substrate 3,367	minimal

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Sourcing

Sourcing

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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

Showing 1 to 5 of 17 entries

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PubMed

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
Record UNII	BK72RP7F7D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AG-13958

Common Name

English

AG 13958

Code

English

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

Systematic Name

English

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Code System

Code

Type

Description

ChEMBL

CHEMBL3545335

PRIMARY

PUBCHEM

9934283

PRIMARY

FDA UNII

BK72RP7F7D

PRIMARY

EPA CompTox

DTXSID20953842

PRIMARY

MANUFACTURER PRODUCT INFORMATION

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

PRIMARY

SYN-1004, CAS 319460-94-1: AG13958 is a VEGF inhibitor that was clinical development by Pfizer in 2006-07 for treatment of age-related macular degeneration (AMD). The drug displays low water solubility and so far in trials delivery has been difficult needing direct injection to be truly effective and it varied by the species used because of species specific differences in eye circulation and vascularization. As a VEGF inhibitor AG13958 was targeted to FLT/TYK receptor inhibition.

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Related Record

Type

Details


					15VTU0Z1XL

AG-13958 MONOHYDRATE

SALT/SOLVATE -> PARENT


					21L6K9UC1U

AG-13958 MONOHYDROCHLORIDE

SALT/SOLVATE -> PARENT


					15VTU0Z1XL

AG-13958 MONOHYDRATE

SOLVATE->ANHYDROUS

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Related Record

Type

Details


					BK72RP7F7D

AG-13958

ACTIVE MOIETY

Comments:

Class: Eye disorder therapy; Mechanism of Action: Angiogenesis inhibitor, Vascular endothelial growth factor A inhibitor; Highest Development Phase: Discontinued for Age-related macular degeneration; Most Recent Events: 11 Mar 2008 Discontinued - Phase-I/II for Age-related macular degeneration in Australia (Ophthalmic), 11 Mar 2008 Discontinued - Phase-I/II for Age-related macular degeneration in United Kingdom (Ophthalmic), 11 Mar 2008 Discontinued - Phase-I/II for Age-related macular degeneration in Netherlands (Ophthalmic)

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SMILES

InChI

Originator

Approval Year

Targets

Conditions

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Sourcing

PubMed

Sample Use Guides

Drug as perpetrator