| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | L24XJN68OW |
Structure
| InChI Key | HZCWPKGYTCJSEB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21N5O3 |
| Molecular Weight | 367.41 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 85.46 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 45000 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Melanoma | 2 | D008545 | ClinicalTrials |
| Central Nervous System Neoplasms | 2 | D016543 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Lung Neoplasms | 2 | D008175 | ClinicalTrials |
| Neuroblastoma | 1 | D009447 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 99009-20-8 |
| ChEMBL | CHEMBL118841 |
| DrugBank | DB12549 |
| FDA SRS | L24XJN68OW |
| PubChem | 339455 |
| SureChEMBL | SCHEMBL867991 |
| ZINC | ZINC000003778885 |
CONTENTS