| Synonyms: | |
| Status: | Approved (1996) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | M03BX02 |
| UNII: | 6AI06C00GW |
Structure
| InChI Key | XFYDIVBRZNQMJC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8ClN5S |
| Molecular Weight | 253.72 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 62.2 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 7 | |
|
Other cytosolic protein
|
- | - | - | 28-28 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 2 | D010146 | ClinicalTrials |
| Muscle Spasticity | 2 | D009128 | ClinicalTrials |
| Melanoma | 1 | D008545 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51322-75-9 |
| ChEBI | 63629 |
| ChEMBL | CHEMBL1079 |
| DrugBank | DB00697 |
| DrugCentral | 2683 |
| EPA CompTox | DTXSID9023679 |
| FDA SRS | 6AI06C00GW |
| Human Metabolome Database | HMDB0014835 |
| Guide to Pharmacology | 7308 |
| KEGG | C07452 |
| PharmGKB | PA451701 |
| PubChem | 5487 |
| SureChEMBL | SCHEMBL60334 |
| ZINC | ZINC000019702309 |
CONTENTS