| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1989) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N04BD01 |
| UNII: | 2K1V7GP655 |
Structure
| InChI Key | MEZLKOACVSPNER-GFCCVEGCSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H17N |
| Molecular Weight | 187.29 |
| AlogP | 2.18 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 3.24 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Monoamine oxidase B inhibitor | FDA |
| Primary Target | |
|---|---|
| Monoamine oxidase B |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2B
Cytochrome P450 2B1
|
- | - | - | 1050 | - | |
|
Enzyme
Oxidoreductase
|
- | 0-19600 | 59 | 3-5680 | 4-98 | |
|
Unclassified protein
|
- | 270 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Parkinson Disease | 4 | D010300 | ClinicalTrials |
| Cocaine-Related Disorders | 3 | D019970 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Borderline Personality Disorder | 3 | D001883 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Tobacco Use Disorder | 2 | D014029 | ClinicalTrials |
| Amphetamine-Related Disorders | 1 | D019969 | ClinicalTrials |
| Schizophrenia | 0 | D012559 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14611-51-9 |
| ChEBI | 9086 |
| ChEMBL | CHEMBL972 |
| DrugBank | DB01037 |
| DrugCentral | 2429 |
| EPA CompTox | DTXSID6023575 |
| FDA SRS | 2K1V7GP655 |
| Guide to Pharmacology | 6639 |
| KEGG | C07245 |
| PharmGKB | PA451316 |
| PubChem | 26757 |
| SureChEMBL | SCHEMBL22232 |
| ZINC | ZINC000019632633 |
CONTENTS