| Synonyms: | |
| Status: | Approved (1961) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N06AF03 |
| UNII: | O408N561GF |
Structure
| InChI Key | RMUCZJUITONUFY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.2 |
| AlogP | 0.69 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 38.05 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Primary Target | |
|---|---|
| Monoamine oxidase A | |
| Monoamine oxidase B |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C8
|
- | - | - | 1200-54300 | - | |
|
Enzyme
Oxidoreductase
|
- | 14000 | - | 94-124 | 100 | |
|
Enzyme
Transferase
|
- | - | - | - | 0-75 | |
|
Epigenetic regulator
Eraser
Lysine demethylase
Lysine-specific demethylase
|
- | - | - | 5600-18000 | - |
Indications
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-71-8 |
| ChEBI | 8060 |
| ChEMBL | CHEMBL1089 |
| DrugBank | DB00780 |
| DrugCentral | 2123 |
| EPA CompTox | DTXSID2041094 |
| FDA SRS | O408N561GF |
| Human Metabolome Database | HMDB0014918 |
| Guide to Pharmacology | 7266 |
| KEGG | C07430 |
| PharmGKB | PA450903 |
| PubChem | 3675 |
| SureChEMBL | SCHEMBL34335 |
| ZINC | ZINC000019166991 |
CONTENTS