| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
Structure
| InChI Key | ZJFFPGMGWOEQLF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H20N6O2S |
| Molecular Weight | 372.45 |
| AlogP | 2.07 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 77.33 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Nitric oxide synthase, inducible inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
|
17300 | 7 | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1911882 |
| SureChEMBL | SCHEMBL3560291 |
| ZINC | ZINC000035277161 |
CONTENTS