U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H26ClN3O5S
Molecular Weight 491.988
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DU125530

SMILES

ClC1=CC(N2CCN(CCCCN3C(=O)C4=C(C=CC=C4)S3(=O)=O)CC2)=C5OCCOC5=C1

InChI

InChIKey=LYXKFNHUJJDTIA-UHFFFAOYSA-N
InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2

HIDE SMILES / InChI

Molecular Formula C23H26ClN3O5S
Molecular Weight 491.988
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

DU125530 is a selective 5-HT1A receptor antagonist. DU-125530 showed equal potency to displace agonist and antagonist binding to pre- and post-synaptic 5-HT1A receptors in rat and human brain. It has potential applications in the treatment of anxiety, depression and mood disorders.

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
10- to 40-mg daily dose
Route of Administration: Oral
Substance Class Chemical
Record UNII
ZB05V621UD
Record Status Validated (UNII)
Record Version