Trade Names: | |
Synonyms: | |
Status: | Approved (2004) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 9K13MD7A0D |
Parent Compound: | APOMORPHINE |
InChI Key | SKYZYDSNJIOXRL-BTQNPOSSSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H18ClNO2 |
Molecular Weight | 303.79 |
AlogP | 2.85 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 43.7 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 20.0 |
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
Dopamine receptor
|
- | 70 | - | 11-48 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 73 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Neoplasms | 1 | D009369 | ClinicalTrials |
Osteoporosis | 1 | D010024 | ClinicalTrials |
Resources | Reference |
---|---|
ChEBI | 48538 |
ChEMBL | CHEMBL1616 |
EPA CompTox | DTXSID5040598 |
FDA SRS | 9K13MD7A0D |
Guide to Pharmacology | 33 |
KEGG | D07460 |
PubChem | 107882 |
SureChEMBL | SCHEMBL8524 |
ZINC | ZINC00009073 |