Structure

InChI Key FFYNAVGJSYHHFO-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peripheral Arterial Disease 3 D058729 ClinicalTrials
Cerebral Infarction 3 D002544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 125926-17-2
ChEBI 135697
ChEMBL CHEMBL52939
DrugBank DB12163
DrugCentral 2423
EPA CompTox DTXSID7048328
FDA SRS 19P708E787
Guide to Pharmacology 210
PubChem 5160
SureChEMBL SCHEMBL49197