Synonyms
Status
Molecule Category Free-form
ATC N02AX05
UNII 18Y7S5JKZD
EPA CompTox DTXSID6048543

Structure

InChI Key JLICHNCFTLFZJN-UHFFFAOYSA-N
Smiles CCC1(c2cccc(O)c2)CCCCN(C)C1
InChI
InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO
Molecular Weight 233.35
AlogP 3.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor partial agonist PARTIAL AGONIST PubMed FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 0

Target Conservation

Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038

Related Entries

Cross References

Resources Reference
ChEBI 91484
ChEMBL CHEMBL314437
DrugBank DB13478
DrugCentral 1706
FDA SRS 18Y7S5JKZD
Guide to Pharmacology 9083
PubChem 41049
SureChEMBL SCHEMBL25404