VOLINANSERIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: EW71EE171J

Structure
InChI Key HXTGXYRHXAGCFP-OAQYLSRUSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Serotonin 2a (5-HT2a) receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 12.43
Enzyme
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -3.56--1.53
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 9.53
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - 1100-1100 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 102.71 4.4
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1288.54 26.74
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 1300-2250 4.09
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 132.48-1000 3.17
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 4.786-4.8 0.14 0.1-1.5
Membrane receptor
- 4.786-4.8 0.14 0.1-1.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - - 15.64

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sleep Wake Disorders 3 D012893 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL74355
DrugBank DB16351
EPA CompTox DTXSID6047363
FDA SRS EW71EE171J
Guide to Pharmacology 185
PubChem 5311271
SureChEMBL SCHEMBL675164
ZINC ZINC000000598040
CONTENTS