| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | E780TX33D2 |
Structure
| InChI Key | SRIOCKJKFXAKHK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11N3O |
| Molecular Weight | 249.27 |
| AlogP | 2.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 58.69 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 48000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL114283 |
| DrugBank | DB12804 |
| EPA CompTox | DTXSID3057802 |
| FDA SRS | E780TX33D2 |
| PharmGKB | PA166119201 |
| PubChem | 71750 |
| SureChEMBL | SCHEMBL93613 |
| ZINC | ZINC000000003827 |
CONTENTS