Synonyms: | |
Status: | Approved (1965) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | J01CF06 |
UNII: | 4CNZ27M7RV |
InChI Key | GPXLMGHLHQJAGZ-JTDSTZFVSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C21H22N2O5S |
Molecular Weight | 414.48 |
AlogP | 2.48 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 95.94 |
Molecular species | ACID |
Aromatic Rings | 2.0 |
Heavy Atoms | 29.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 34900 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Osteomyelitis | 3 | D010019 | ClinicalTrials |
Infections | 2 | D007239 | ClinicalTrials |
Gram-Positive Bacterial Infections | 2 | D016908 | ClinicalTrials |
Bacteremia | 2 | D016470 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 147-52-4 |
ChEBI | 7447 |
ChEMBL | CHEMBL1443 |
DrugBank | DB00607 |
DrugCentral | 1869 |
EPA CompTox | DTXSID8023343 |
FDA SRS | 4CNZ27M7RV |
Human Metabolome Database | HMDB0014745 |
Guide to Pharmacology | 10942 |
KEGG | C07250 |
PharmGKB | PA450576 |
PubChem | 8982 |
SureChEMBL | SCHEMBL47797 |
ZINC | ZINC000003875980 |