VOLINANSERIN

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Synonyms
Status
Molecule Category Free-form
UNII EW71EE171J
EPA CompTox DTXSID6047363

Structure

InChI Key HXTGXYRHXAGCFP-OAQYLSRUSA-N
Smiles COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
InChI
InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28FNO3
Molecular Weight 373.47
AlogP 3.83
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 41.93
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 2a (5-HT2a) receptor antagonist ANTAGONIST PubMed Wikipedia
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 Adrenergic receptor
- - - 420 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 4.786-4.8 - 0.1-316.23 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4.786-4.8 - 0.1-316.23 -
Rattus norvegicus
- - - 0.1-2.1 -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL74355
DrugBank DB16351
FDA SRS EW71EE171J
Guide to Pharmacology 185
PubChem 5311271
SureChEMBL SCHEMBL675164
ZINC ZINC000000598040
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