N-(3-FLUORO-4-(2-(1-METHYL-1H-IMIDAZOL-4-YL)THIENO(3,2-B)PYRIDIN-7-YLOXY)PHENYLCARBAMOTHIOYL)-2-PHENYLACETAMIDE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H20FN5O2S2
Molecular Weight	517.598
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(3-FLUORO-4-(2-(1-METHYL-1H-IMIDAZOL-4-YL)THIENO(3,2-B)PYRIDIN-7-YLOXY)PHENYLCARBAMOTHIOYL)-2-PHENYLACETAMIDE

SMILES

CN1C=NC(=C1)C2=CC3=NC=CC(OC4=C(F)C=C(NC(=S)NC(=O)CC5=CC=CC=C5)C=C4)=C3S2

InChI

InChIKey=UFICVEHDQUKCEA-UHFFFAOYSA-N

InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)

HIDE SMILES / InChI

Molecular Formula	C26H20FN5O2S2
Molecular Weight	517.598
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Vascular endothelial growth factor receptor 2 112	Inhibitor 8,504		0.026 µM [IC50]
Hepatocyte growth factor receptor 56	Inhibitor 8,504		0.037 µM [IC50]

PubMed

Title	Date	PubMed
No data available in table

Patents

Substance Class	Chemical
Record UNII	93M6577H9D
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

BENZENEACETAMIDE, N-(((3-FLUORO-4-((2-(1-METHYL-1H-IMIDAZOL-4-YL)THIENO(3,2-B)PYRIDIN-7-YL)OXY)PHENYL)AMINO)THIOXOMETHYL)-

Preferred Name

English

N-(3-FLUORO-4-(2-(1-METHYL-1H-IMIDAZOL-4-YL)THIENO(3,2-B)PYRIDIN-7-YLOXY)PHENYLCARBAMOTHIOYL)-2-PHENYLACETAMIDE

Systematic Name

English

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Code System

Code

Type

Description

PUBCHEM

24901704

PRIMARY

EPA CompTox

DTXSID60647874

PRIMARY

CAS

875337-44-3

PRIMARY

FDA UNII

93M6577H9D

PRIMARY

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