Synonyms
Status
Molecule Category Free-form
UNII 19P708E787
EPA CompTox DTXSID7048328

Structure

InChI Key FFYNAVGJSYHHFO-UHFFFAOYSA-N
Smiles COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1
InChI
InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31NO6
Molecular Weight 429.51
AlogP 3.2
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 85.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

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

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor

Description: 5-hydroxytryptamine receptor 2A

Organism : Homo sapiens

P28223 ENSG00000102468

Cross References

Resources Reference
ChEBI 135697
ChEMBL CHEMBL52939
DrugBank DB12163
DrugCentral 2423
FDA SRS 19P708E787
Guide to Pharmacology 210
PubChem 5160
SureChEMBL SCHEMBL49197