Synonyms: | |
Status: | Approved (1996) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | M03BX02 |
UNII: | 6AI06C00GW |
InChI Key | XFYDIVBRZNQMJC-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 7 | |
Other cytosolic protein
|
- | - | - | 28-28 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pain | 2 | D010146 | ClinicalTrials |
Muscle Spasticity | 2 | D009128 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
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 |