VU-0238429

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

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

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

Targets

Primary Target	Pharmacology	Condition	Potency
Muscarinic acetylcholine receptor M5 62 Target ID: Q920H4 Gene ID: 213788.0 Gene Symbol: Chrm5 Target Organism: Mus musculus (Mouse) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19438238	Positive Allosteric Modulator 179		1.16 µM [EC50]

PubMed

Title	Date	PubMed
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 Jun 11	19438238
Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators.	2010 Oct 1	20801651
Muscarinic receptor M3 mediates human gallbladder contraction through voltage-gated Ca2+ channels and Rho kinase.	2013 Feb	23227858
Simultaneous activation of muscarinic and GABA(B) receptors as a bidirectional target for novel antipsychotics.	2019 Feb 1	30267715
Simultaneous activation of mGlu(2) and muscarinic receptors reverses MK-801-induced cognitive decline in rodents.	2020 Sep 1	31785263

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:26:02 GMT 2023` Edited by `admin` on `Sat Dec 16 15:26:02 GMT 2023`
Record UNII	ZH1ZWF5Q3P
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

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

ML-129

Code

English

1H-INDOLE-2,3-DIONE, 1-((4-METHOXYPHENYL)METHYL)-5-(TRIFLUOROMETHOXY)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40655290