Synonyms: | |
Status: | Approved (1995) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N02AX02 |
UNII: | 39J1LGJ30J |
InChI Key | TVYLLZQTGLZFBW-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H25NO2 |
Molecular Weight | 263.38 |
AlogP | 2.63 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 32.7 |
Molecular species | BASE |
Aromatic Rings | 1.0 |
Heavy Atoms | 19.0 |
Property Name | Value | Unit | Method |
---|---|---|---|
log P (octanol-water) | 3.010 | - | EST |
Atmospheric OH Rate Constant | 1.47E-10 | cm3/molecule-sec | EST |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
1300 | 7600-7600 | - | 1600-2000 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 1493-4300 | - | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 52500 | - | - | 60 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Abdominal Pain | 3 | D015746 | ClinicalTrials |
Opioid-Related Disorders | 3 | D009293 | ClinicalTrials |
Fibromyalgia | 3 | D005356 | ClinicalTrials |
Diabetic Neuropathies | 3 | D003929 | ClinicalTrials |
Chronic Pain | 3 | D059350 | ClinicalTrials |
Osteoarthritis, Knee | 3 | D020370 | ClinicalTrials |
Low Back Pain | 3 | D017116 | ClinicalTrials |
Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
Rotator Cuff Injuries | 2 | D000070636 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Osteoarthritis | 2 | D010003 | ClinicalTrials |
Hip Fractures | 2 | D006620 | ClinicalTrials |
Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
Wounds and Injuries | 2 | D014947 | ClinicalTrials |
Neuralgia | 2 | D009437 | ClinicalTrials |
Substance Withdrawal Syndrome | 2 | D013375 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 27203-92-5 |
ChEBI | 75722 |
ChEMBL | CHEMBL1237044 |
EPA CompTox | DTXSID00860388 |
FDA SRS | 39J1LGJ30J |
Guide to Pharmacology | 8286 |
SureChEMBL | SCHEMBL57496 |