| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 56HH86ZVCT |
Structure
| InChI Key | ISAKRJDGNUQOIC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4N2O2 |
| Molecular Weight | 112.09 |
| AlogP | -0.94 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 65.72 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Head and Neck Neoplasms | 3 | D006258 | ClinicalTrials |
| Rectal Neoplasms | 3 | D012004 | ClinicalTrials |
| Squamous Cell Carcinoma of Head and Neck | 2 | D000077195 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Esophageal Neoplasms | 2 | D004938 | ClinicalTrials |
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 66-22-8 |
| ChEBI | 17568 |
| ChEMBL | CHEMBL566 |
| DrugBank | DB03419 |
| EPA CompTox | DTXSID4021424 |
| FDA SRS | 56HH86ZVCT |
| Human Metabolome Database | HMDB0000300 |
| Guide to Pharmacology | 4560 |
| KEGG | C00106 |
| PDB | URA |
| PubChem | 1174 |
| SureChEMBL | SCHEMBL8235 |
| ZINC | ZINC000000895045 |
CONTENTS