Structure

InChI Key JIRYWFYYBBRJAN-ZFWWWQNUSA-N
Smile CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1
InChI
InChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t13-,15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO
Molecular Weight 233.35
AlogP 3.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fibromyalgia 2 D005356 ClinicalTrials
Neuralgia 1 D009437 ClinicalTrials
Chronic Pain 1 D059350 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2103829
FDA SRS C04V6SGK8H
PubChem 9813414
SureChEMBL SCHEMBL149508
ZINC ZINC000033966691