Synonyms: | |
Status: | Approved (1954) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 1NHL2J4X8K |
InChI Key | GIJXKZJWITVLHI-PMOLBWCYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C21H25NO |
Molecular Weight | 307.44 |
AlogP | 4.42 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 12.47 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 23.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
- | 20 | - | 1-1 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC06 neurotransmitter transporter family
|
- | 118-403 | - | 8-237 | 17 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
Temporomandibular Joint Disorders | 2 | D013705 | ClinicalTrials |
Sciatica | 2 | D012585 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 86-13-5 |
ChEBI | 3048 |
ChEMBL | CHEMBL1201203 |
DrugBank | DB00245 |
DrugCentral | 333 |
EPA CompTox | DTXSID9022659 |
FDA SRS | 1NHL2J4X8K |
Human Metabolome Database | HMDB0014390 |
Guide to Pharmacology | 7601 |
PDB | CXQ |
SureChEMBL | SCHEMBL35388 |
ZINC | ZINC000100036536 |