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 |