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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17ClFNO4
Molecular Weight 413.826
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CJ-042794

SMILES

C[C@H](NC(=O)C1=CC(Cl)=CC=C1OC2=CC=C(F)C=C2)C3=CC=C(C=C3)C(O)=O

InChI

InChIKey=MWBNCZHVEXULBD-ZDUSSCGKSA-N
InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H17ClFNO4
Molecular Weight 413.826
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets
PubMed

PubMed

TitleDatePubMed
Effect of (S)-4-(1-(5-chloro-2-(4-fluorophenyoxy)benzamido)ethyl) benzoic acid (CJ-42794), a selective antagonist of prostaglandin E receptor subtype 4, on ulcerogenic and healing responses in rat gastrointestinal mucosa.
2007 Sep
In vitro pharmacological characterization of CJ-042794, a novel, potent, and selective prostaglandin EP(4) receptor antagonist.
2008 Jan 16
Synthesis and evaluation of (18)F-labeled CJ-042794 for imaging prostanoid EP4 receptor expression in cancer with positron emission tomography.
2017 May 15
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:14:25 GMT 2023
Edited
by admin
on Sat Dec 16 16:14:25 GMT 2023
Record UNII
CN7Z4P7QXS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CJ-042794
Code English
Benzoic acid, 4-[(1S)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]-
Systematic Name English
4-((1R)-1-((5-CHLORANYL-2-(4-FLUORANYLPHENOXY)PHENYL)CARBONYLAMINO)ETHYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
CN7Z4P7QXS
Created by admin on Sat Dec 16 16:14:26 GMT 2023 , Edited by admin on Sat Dec 16 16:14:26 GMT 2023
PRIMARY
PUBCHEM
11524454
Created by admin on Sat Dec 16 16:14:26 GMT 2023 , Edited by admin on Sat Dec 16 16:14:26 GMT 2023
PRIMARY
CAS
847728-01-2
Created by admin on Sat Dec 16 16:14:26 GMT 2023 , Edited by admin on Sat Dec 16 16:14:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID60468041
Created by admin on Sat Dec 16 16:14:26 GMT 2023 , Edited by admin on Sat Dec 16 16:14:26 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Ki
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ACTIVE MOIETY