| Synonyms: | |
| Status: | Approved (1987) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | G04BX06 |
| UNII: | K2J09EMJ52 |
Structure
| InChI Key | QPFYXYFORQJZEC-FOCLMDBBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H11N5 |
| Molecular Weight | 213.24 |
| AlogP | 2.66 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 89.65 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 23 | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 96 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Dysuria | 3 | D053159 | ClinicalTrials |
| Urinary Retention | 3 | D016055 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-78-0 |
| ChEMBL | CHEMBL1242 |
| DrugBank | DB01438 |
| DrugCentral | 2120 |
| FDA SRS | K2J09EMJ52 |
| Human Metabolome Database | HMDB0015506 |
| Guide to Pharmacology | 7616 |
| KEGG | C07429 |
| SureChEMBL | SCHEMBL253232 |
| ZINC | ZINC000095483532 |
CONTENTS