| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 2E2W0W5XIU |
Structure
| InChI Key | JOZGNYDSEBIJDH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4N2O2 |
| Molecular Weight | 136.11 |
| AlogP | -0.13 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 66.24 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
- | 14 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Rectal Neoplasms | 3 | D012004 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Colonic Neoplasms | 3 | D003110 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59989-18-3 |
| ChEMBL | CHEMBL355200 |
| DrugBank | DB03516 |
| EPA CompTox | DTXSID10208696 |
| FDA SRS | 2E2W0W5XIU |
| PDB | Y3G |
| PubChem | 43157 |
| SureChEMBL | SCHEMBL37817 |
| ZINC | ZINC000000005467 |
CONTENTS