Synonyms: | |
Status: | Approved (2022) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 4B93MGE4AL |
InChI Key | KEIPNCCJPRMIAX-HNNXBMFYSA-N |
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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 |