| Synonyms: | |
| Status: | Approved (2022) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 4B93MGE4AL |
| InChI Key | KEIPNCCJPRMIAX-HNNXBMFYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H22N6O3 |
| Molecular Weight | 418.46 |
| AlogP | 1.78 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 108.39 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cholangiocarcinoma | 3 | D018281 | ClinicalTrials |
| Sarcoma | 3 | D012509 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3701238 |
| DrugBank | DB15149 |
| FDA SRS | 4B93MGE4AL |
| Guide to Pharmacology | 9786 |
| PDB | TZ0 |
| PubChem | 71621331 |
| SureChEMBL | SCHEMBL15345470 |
| ZINC | ZINC000207800318 |