| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 86S1ZD6L2C |
Structure
| InChI Key | KAESVJOAVNADME-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5N |
| Molecular Weight | 67.09 |
| AlogP | 1.01 |
| Hydrogen Bond Acceptor | 0.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 15.79 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 5.0 |
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
|
- | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Aspergillosis | 3 | D001228 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 19203 |
| ChEMBL | CHEMBL16225 |
| EPA CompTox | DTXSID5021910 |
| FDA SRS | 86S1ZD6L2C |
| Human Metabolome Database | HMDB0035924 |
| SureChEMBL | SCHEMBL292 |
| ZINC | ZINC000001691362 |
CONTENTS