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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12F3NO4
Molecular Weight 351.2767
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VU-0238429

SMILES

COC1=CC=C(CN2C(=O)C(=O)C3=CC(OC(F)(F)F)=CC=C23)C=C1

InChI

InChIKey=CKLGZXFOLMHCMC-UHFFFAOYSA-N
InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H12F3NO4
Molecular Weight 351.2767
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q920H4
Gene ID: 213788.0
Gene Symbol: Chrm5
Target Organism: Mus musculus (Mouse)
1.16 µM [EC50]
PubMed

PubMed

TitleDatePubMed
Simultaneous activation of mGlu2 and muscarinic receptors reverses MK-801-induced cognitive decline in rodents.
2020-09-01
Simultaneous activation of muscarinic and GABAB receptors as a bidirectional target for novel antipsychotics.
2019-02-01
M5 receptor activation produces opposing physiological outcomes in dopamine neurons depending on the receptor's location.
2014-02-26
Muscarinic receptor M3 mediates human gallbladder contraction through voltage-gated Ca2+ channels and Rho kinase.
2013-02
Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators.
2010-10-01
Chemical lead optimization of a pan G(q) mAChR M(1), M(3), M(5) positive allosteric modulator (PAM) lead. Part I: Development of the first highly selective M(5) PAM.
2010-01-15
Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of 5-trifluoromethoxy N-benzyl isatins.
2009-06-11
Substance Class Chemical
Created
by admin
on Wed Apr 02 05:41:32 GMT 2025
Edited
by admin
on Wed Apr 02 05:41:32 GMT 2025
Record UNII
ZH1ZWF5Q3P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ML-129
Preferred Name English
VU-0238429
Code English
1-((4-METHOXYPHENYL)METHYL)-5-(TRIFLUOROMETHOXY)-1H-INDOLE-2,3-DIONE
Systematic Name English
1-(4-METHOXY-BENZYL)-5-TRIFLUOROMETHOXY-1H-INDOLE-2,3-DIONE
Systematic Name English
1H-INDOLE-2,3-DIONE, 1-((4-METHOXYPHENYL)METHYL)-5-(TRIFLUOROMETHOXY)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40655290
Created by admin on Wed Apr 02 05:41:32 GMT 2025 , Edited by admin on Wed Apr 02 05:41:32 GMT 2025
PRIMARY
FDA UNII
ZH1ZWF5Q3P
Created by admin on Wed Apr 02 05:41:32 GMT 2025 , Edited by admin on Wed Apr 02 05:41:32 GMT 2025
PRIMARY
CAS
1160247-92-6
Created by admin on Wed Apr 02 05:41:32 GMT 2025 , Edited by admin on Wed Apr 02 05:41:32 GMT 2025
PRIMARY
PUBCHEM
42633508
Created by admin on Wed Apr 02 05:41:32 GMT 2025 , Edited by admin on Wed Apr 02 05:41:32 GMT 2025
PRIMARY
WIKIPEDIA
VU-0238429
Created by admin on Wed Apr 02 05:41:32 GMT 2025 , Edited by admin on Wed Apr 02 05:41:32 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
selective positive allosteric modulator
ALLOSTERIC ACTIVATOR
Related Record Type Details
ACTIVE MOIETY