| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 9K13MD7A0D |
| Parent Compound: | APOMORPHINE |
Structure
| InChI Key | SKYZYDSNJIOXRL-BTQNPOSSSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| 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 |
Pharmacology
| 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 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Osteoporosis | 1 | D010024 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 48538 |
| ChEMBL | CHEMBL1616 |
| EPA CompTox | DTXSID5040598 |
| FDA SRS | 9K13MD7A0D |
| Guide to Pharmacology | 33 |
| KEGG | D07460 |
| PubChem | 107882 |
| SureChEMBL | SCHEMBL8524 |
| ZINC | ZINC00009073 |
CONTENTS