VILAZODONE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII U8HTX2GK8J
Parent Compound: VILAZODONE

Structure

InChI Key RPZBRGFNBNQSOP-UHFFFAOYSA-N
Smiles Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
InChI
InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28ClN5O2
Molecular Weight 478.0
AlogP 4.03
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 102.29
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1a (5-HT1a) receptor partial agonist PARTIAL AGONIST FDA PubMed

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394
Protein: Serotonin transporter
Description: Sodium-dependent serotonin transporter
Organism : Homo sapiens
P31645 ENSG00000108576

Cross References

Resources Reference
ChEBI 70705
ChEMBL CHEMBL1615374
FDA SRS U8HTX2GK8J
KEGG D09698
PubChem 6918313
SureChEMBL SCHEMBL867358
ZINC ZINC01542113
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