PRUVANSERIN

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Synonyms
Status
Molecule Category Free-form
UNII UL09X1D9EM
EPA CompTox DTXSID40196133

Structure

InChI Key AQRLDDAFYYAIJP-UHFFFAOYSA-N
Smiles N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12
InChI
InChI=1S/C22H21FN4O/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20/h1-7,15,25H,8-13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H21FN4O
Molecular Weight 376.44
AlogP 3.18
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 63.13
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 2a (5-HT2a) receptor antagonist 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
- - - 0.48-645 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.48-645 -

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468

Cross References

Resources Reference
ChEMBL CHEMBL1215661
DrugBank DB13094
FDA SRS UL09X1D9EM
PubChem 6433122
SureChEMBL SCHEMBL678751
ZINC ZINC000056898757
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