| Synonyms: | |
| Status: | Approved (1993) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | P01AX07 |
| UNII: | UPN4ITI8T4 |
Structure
| InChI Key | NOYPYLRCIDNJJB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H23N5O3 |
| Molecular Weight | 369.43 |
| AlogP | 2.74 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 117.54 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 1-10000 | - | 1-83 | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL119 |
| DrugBank | DB01157 |
| DrugCentral | 2757 |
| EPA CompTox | DTXSID3023714 |
| FDA SRS | UPN4ITI8T4 |
| Human Metabolome Database | HMDB0015288 |
| Guide to Pharmacology | 7613 |
| KEGG | C11154 |
| PharmGKB | PA451790 |
| PubChem | 5583 |
| SureChEMBL | SCHEMBL3983 |
| ZINC | ZINC000000598852 |
CONTENTS