KI-16425

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H23ClN2O5S
Molecular Weight	474.957
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(OC(=O)NC1=C(ON=C1C)C2=CC=C(CSCCC(O)=O)C=C2)C3=CC=CC=C3Cl

InChI

InChIKey=LLIFMNUXGDHTRO-UHFFFAOYSA-N

InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)

HIDE SMILES / InChI

Molecular Formula	C23H23ClN2O5S
Molecular Weight	474.957
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Lysophosphatidic acid receptor Edg-7 1 Target ID: CHEMBL3250 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16033271	Antagonist 2849		301.0 nM [IC50]
Lysophosphatidic acid receptor Edg-2 4 Target ID: CHEMBL3819 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22894757	Antagonist 2849		160.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:49:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:49:19 GMT 2025`
Record UNII	83W49JT69B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PROPANOIC ACID, 3-(((4-(4-(((1-(2-CHLOROPHENYL)ETHOXY)CARBONYL)AMINO)-3-METHYL-5-ISOXAZOLYL)PHENYL)METHYL)THIO)-

Preferred Name

English

KI-16425

Code

English

KI16425

Code

English

3-((4-(4-(1-(2-CHLOROPHENYL)ETHOXYCARBONYLAMINO)-3-METHYL-1,2-OXAZOL-5-YL)PHENYL)METHYLSULFANYL)PROPANOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

83W49JT69B

Created by admin on Mon Mar 31 21:49:19 GMT 2025 , Edited by admin on Mon Mar 31 21:49:19 GMT 2025

PRIMARY

EPA CompTox

DTXSID90438772

Created by admin on Mon Mar 31 21:49:19 GMT 2025 , Edited by admin on Mon Mar 31 21:49:19 GMT 2025

PRIMARY

PUBCHEM

10367662

Created by admin on Mon Mar 31 21:49:19 GMT 2025 , Edited by admin on Mon Mar 31 21:49:19 GMT 2025

PRIMARY

CAS

355025-24-0

Created by admin on Mon Mar 31 21:49:19 GMT 2025 , Edited by admin on Mon Mar 31 21:49:19 GMT 2025

PRIMARY

Related Record Type Details


					83W49JT69B

KI-16425

ACTIVE MOIETY