| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | YO3O4Q2NC8 |
Structure
| InChI Key | ICYNYWFGIDGBRD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12ClN3O3S |
| Molecular Weight | 325.78 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 90.11 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Primary Target | |
|---|---|
| myeloperoxidase |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 1900 | - | 316 | - |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Overweight | Phase 1 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1435467-37-0 |
| ChEMBL | CHEMBL3633460 |
| DrugBank | DB11683 |
| FDA SRS | YO3O4Q2NC8 |
| Guide to Pharmacology | 10053 |
| PubChem | 71571306 |
| SureChEMBL | SCHEMBL14936135 |
| ZINC | ZINC000205775084 |
CONTENTS