| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | MZ4Y5H4OAB |
Structure
| InChI Key | CUNDRHORZHFPLY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22N4O2 |
| Molecular Weight | 350.42 |
| AlogP | 2.9 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 69.87 |
| Molecular species | BASE |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 126-148 | - | - | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3545337 |
| FDA SRS | MZ4Y5H4OAB |
| PubChem | 132127 |
| ChEMBL | CHEMBL338604 |
| EPA CompTox | DTXSID10160508 |
| FDA SRS | MZ4Y5H4OAB |
| PubChem | 132127 |
| SureChEMBL | SCHEMBL2442405 |
| ZINC | ZINC000003825292 |
CONTENTS