L-760735F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28F7N5O2
Molecular Weight	575.5216
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O[C@H]1OCCN(CC2=C(CN(C)C)N=NN2)[C@H]1C3=CC=C(F)C=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=USRYEHHMJIRICK-ZNZBMKLDSA-N

InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H28F7N5O2
Molecular Weight	575.5216
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://adisinsight.springer.com/drugs/800024616
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/9733503 | https://www.ncbi.nlm.nih.gov/pubmed/11595206 | https://www.ncbi.nlm.nih.gov/pubmed/15875166 | https://www.ncbi.nlm.nih.gov/pubmed/26690860

L-760735 is a non-peptide substance P receptor (Neurokinin 1 (NK1) receptor) antagonist. It exerts anxiolytic, antidepressant and antinociceptive actions in animals. Merck was developing an L- 760735 as a potential antidepressant.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neurokinin 1 receptor 35 Target ID: CHEMBL249 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9733503	Antagonist 2849		0.3 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Anxiety 275 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11595206	Primary	Preclinical	Unknown Approved Use Unknown
Depression 240 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15875166 https://www.ncbi.nlm.nih.gov/pubmed/9733503	Primary	Preclinical	Unknown Approved Use Unknown
Pain 619 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26690860	Primary	Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
The selective neurokinin 1 receptor antagonist R116301 modulates photic responses of the hamster circadian system.	2001 Mar	11166333

Patents

Sample Use Guides

In Vivo Use Guide

Tree shrews were subjected to a 7-day period of psychosocial stress before receiving daily oral administration of L-760735 (10 mg/kg/day)

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:15:17 GMT 2025` Edited by `admin` on `Tue Apr 01 21:15:17 GMT 2025`
Record UNII	4I4P4I2E8P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-1,2,3-TRIAZOLE-4-METHANAMINE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-N,N-DIMETHYL-

Preferred Name

English

L-760735F

Code

English

5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-N,N-DIMETHYL-1H-1,2,3-TRIAZOLE-4-METHANAMINE

Systematic Name

English

Code System Code Type Description

CAS

171242-11-8

Created by admin on Tue Apr 01 21:15:17 GMT 2025 , Edited by admin on Tue Apr 01 21:15:17 GMT 2025

PRIMARY

PUBCHEM

9809077

Created by admin on Tue Apr 01 21:15:17 GMT 2025 , Edited by admin on Tue Apr 01 21:15:17 GMT 2025

PRIMARY

FDA UNII

4I4P4I2E8P

Created by admin on Tue Apr 01 21:15:17 GMT 2025 , Edited by admin on Tue Apr 01 21:15:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID90430978

Created by admin on Tue Apr 01 21:15:17 GMT 2025 , Edited by admin on Tue Apr 01 21:15:17 GMT 2025

PRIMARY

Related Record Type Details


					6OU487748Q

SUBSTANCE-P RECEPTOR

TARGET -> INHIBITOR

Amount:


					E4C3XGZ4U7

L-760735F HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					4I4P4I2E8P

L-760735F

ACTIVE MOIETY

Details

SMILES

InChI

CNS Activity

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

PubMed

Patents

Sample Use Guides