DU 125530

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZB05V621UD

Structure
InChI Key LYXKFNHUJJDTIA-UHFFFAOYSA-N
Smile O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2cc(Cl)cc3c2OCCO3)CC1
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26ClN3O5S
Molecular Weight 492.0
AlogP 2.86
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 79.39
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 1a (5-HT1a) receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - 0-0 1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 2 D003866 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL79261
DrugBank DB16040
EPA CompTox DTXSID00167208
FDA SRS ZB05V621UD
SureChEMBL SCHEMBL1082516
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