| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | Y25LQ0H97D |
Structure
| InChI Key | MQQNFDZXWVTQEH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H17N5O2 |
| Molecular Weight | 347.38 |
| AlogP | 2.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 138.07 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Primary Target | |
|---|---|
| complement C1r | |
| serine protease 1 | |
| tryptase alpha/beta 1 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
490 | 800-12000 | - | 0-0 | - | |
|
Enzyme
Protease
Serine protease
|
490 | 800-12000 | - | 0-0 | - | |
|
Membrane receptor
|
- | 12000-12500 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Acute Kidney Injury | 3 | D058186 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 81525-10-2 |
| ChEBI | 135466 |
| ChEMBL | CHEMBL273264 |
| DrugBank | DB12598 |
| DrugCentral | 1867 |
| EPA CompTox | DTXSID0048420 |
| FDA SRS | Y25LQ0H97D |
| Guide to Pharmacology | 4262 |
| PubChem | 4413 |
| SureChEMBL | SCHEMBL135503 |
| ZINC | ZINC000003874467 |
CONTENTS