Structure

InChI Key LQJLLAOISDVBJM-UHFFFAOYSA-N
Smile COc1cccc(C2(O)CC(O)CCC2CN(C)C)c1
InChI
InChI=1S/C16H25NO3/c1-17(2)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)20-3/h4-6,9,13-14,18-19H,7-8,10-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25NO3
Molecular Weight 279.38
AlogP 1.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 52.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Delta opioid receptor agonist Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Low Back Pain 2 D017116 ClinicalTrials
Pain 1 D010146 ClinicalTrials
Chronic Pain 1 D059350 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3989680
EPA CompTox DTXSID70461720
FDA SRS 9J92U4CVS0
PubChem 15344754
SureChEMBL SCHEMBL148228