Synonyms
Status
Molecule Category Free-form
UNII M65825806Q
EPA CompTox DTXSID90160127

Structure

InChI Key MEEQBDCQPIZMLY-HNNXBMFYSA-N
Smiles c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2
InChI
InChI=1S/C19H21NO5/c1-2-5-18-16(4-1)22-12-15(25-18)11-20-8-3-9-21-14-6-7-17-19(10-14)24-13-23-17/h1-2,4-7,10,15,20H,3,8-9,11-13H2/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21NO5
Molecular Weight 343.38
AlogP 2.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 58.18
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1a (5-HT1a) receptor agonist AGONIST PubMed Wikipedia

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor

Description: 5-hydroxytryptamine receptor 1A

Organism : Homo sapiens

P08908 ENSG00000178394

Cross References

Resources Reference
ChEMBL CHEMBL1742408
FDA SRS M65825806Q
PubChem 198747
SureChEMBL SCHEMBL1548269
ZINC ZINC000003799319