Synonyms: | |
Status: | Approved (1985) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 141A6AMN38 |
InChI Key | DHSUYTOATWAVLW-WFVMDLQDSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H26N2O5S |
Molecular Weight | 358.46 |
AlogP | 1.43 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 11.0 |
Polar Surface Area | 129.72 |
Molecular species | ZWITTERION |
Aromatic Rings | 0.0 |
Heavy Atoms | 24.0 |
Primary Target | |
---|---|
Dipeptidase 1 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Protease
Metallo protease
Metallo protease MJ clan
Metallo protease M19 family
|
- | - | - | 110-210 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pneumonia, Bacterial | 3 | D018410 | ClinicalTrials |
Pneumonia, Ventilator-Associated | 3 | D053717 | ClinicalTrials |
Bacterial Infections | 3 | D001424 | ClinicalTrials |
Infections | 2 | D007239 | ClinicalTrials |
Urinary Tract Infections | 2 | D014552 | ClinicalTrials |
Pyelonephritis | 2 | D011704 | ClinicalTrials |
Sepsis | 1 | D018805 | ClinicalTrials |
Osteomyelitis | 0 | D010019 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 82009-34-5 |
ChEBI | 3697 |
ChEMBL | CHEMBL766 |
DrugBank | DB01597 |
DrugCentral | 640 |
EPA CompTox | DTXSID8048238 |
FDA SRS | 141A6AMN38 |
Human Metabolome Database | HMDB0015535 |
Guide to Pharmacology | 5166 |
KEGG | C01675 |
PharmGKB | PA448998 |
PubChem | 6435415 |
SureChEMBL | SCHEMBL37051 |
ZINC | ZINC000004095696 |