| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | K8CXK5Q32L |
Structure
| InChI Key | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4N2 |
| Molecular Weight | 80.09 |
| AlogP | 0.48 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 25.78 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 6.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 5
Cytochrome P450 family 5A
Cytochrome P450 5A1
|
- | - | - | - | 12 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Rectal Neoplasms | 2 | D012004 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 16898 |
| ChEMBL | CHEMBL15562 |
| EPA CompTox | DTXSID1051228 |
| FDA SRS | K8CXK5Q32L |
| Human Metabolome Database | HMDB0003361 |
| KEGG | C00396 |
| PDB | P1R |
| PubChem | 9260 |
| SureChEMBL | SCHEMBL1846 |
| ZINC | ZINC000000895216 |
CONTENTS