| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 02JW4J5R44 |
Structure
| InChI Key | YGPSJZOEDVAXAB-QMMMGPOBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.22 |
| AlogP | 0.25 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 106.41 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 4280 | - | |
|
Transcription factor
|
- | - | - | 21600 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Headache | 1 | D006261 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 57959 |
| ChEMBL | CHEMBL498416 |
| DrugBank | DB02070 |
| FDA SRS | 02JW4J5R44 |
| Human Metabolome Database | HMDB0000684 |
| KEGG | C00328 |
| PDB | KYN |
| SureChEMBL | SCHEMBL20875 |
| ZINC | ZINC000000895186 |
CONTENTS