Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NWR3BEB8PA

Structure

InChI Key UXIPFQUBOVWAQW-UEBLJOKOSA-N
Smile CN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1
InChI
InChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28N2O
Molecular Weight 348.49
AlogP 4.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 32.34
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 2a (5-HT2a) receptor antagonist PubMed Other Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hemorrhoids 3 D006484 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 58754-46-4
ChEMBL CHEMBL3989686
DrugBank DB11686
FDA SRS NWR3BEB8PA
PubChem 6445539
SureChEMBL SCHEMBL658304
ZINC ZINC000005599842