VILAZODONE

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Synonyms
Status
Molecule Category Free-form
ATC N06AX24
UNII S239O2OOV3

Structure

InChI Key SGEGOXDYSFKCPT-UHFFFAOYSA-N
Smiles N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
InChI
InChI=1S/C26H27N5O2/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H27N5O2
Molecular Weight 441.54
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

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 Dopamine receptor
- 71-666 - 666 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
0.12-0.79 0.11-252 - 0.2-9.7 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 0.4-295 - 0.5-1.9 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.12-0.79 0.11-295 - 0.2-666 -
Rattus norvegicus
- 0.3-666 - - -

Cross References

Resources Reference
ChEBI 70707
ChEMBL CHEMBL439849
DrugBank DB06684
DrugCentral 4223
FDA SRS S239O2OOV3
Human Metabolome Database HMDB0015637
Guide to Pharmacology 7427
PDB YG7
PubChem 6918314
SureChEMBL SCHEMBL650682
ZINC ZINC000001542113
CONTENTS