| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | Q20IM7HE75 |
| InChI Key | ZSKVGTPCRGIANV-ZXFLCMHBSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17N3O4S |
| Molecular Weight | 299.35 |
| AlogP | -0.18 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 113.72 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 20.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Bacterial penicillin-binding protein inhibitor | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 150 | - | 60 | - | |
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | - | 15 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Infections | 4 | D007239 | ClinicalTrials |
| Bacterial Infections | 3 | D001424 | ClinicalTrials |
| Enterobacteriaceae Infections | 3 | D004756 | ClinicalTrials |
| Pneumonia, Bacterial | 3 | D018410 | ClinicalTrials |
| Pneumonia, Ventilator-Associated | 3 | D053717 | ClinicalTrials |
| Hematologic Neoplasms | 2 | D019337 | ClinicalTrials |
| Pyelonephritis | 2 | D011704 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 64221-86-9 |
| ChEBI | 471744 |
| ChEMBL | CHEMBL148 |
| DrugBank | DB01598 |
| DrugCentral | 1426 |
| EPA CompTox | DTXSID2023143 |
| FDA SRS | Q20IM7HE75 |
| Human Metabolome Database | HMDB0015536 |
| Guide to Pharmacology | 10821 |
| KEGG | C06665 |
| PharmGKB | PA449968 |
| PubChem | 5282372 |
| SureChEMBL | SCHEMBL1649260 |
| ZINC | ZINC000004097225 |
| CAS NUMBER | 64221-86-9 |
| ChEBI | 51799 |
| ChEMBL | CHEMBL43708 |
| EPA CompTox | DTXSID00873392 |
| FDA SRS | 71OTZ9ZE0A |
| Guide to Pharmacology | 10821 |
| PubChem | 5282372 |
| SureChEMBL | SCHEMBL5980 |