Synonyms: | |
Status: | Approved (1970) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | D10AF01 |
UNII: | 3U02EL437C |
InChI Key | KDLRVYVGXIQJDK-AWPVFWJPSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H33ClN2O5S |
Molecular Weight | 424.99 |
AlogP | 0.39 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 102.26 |
Molecular species | NEUTRAL |
Aromatic Rings | 0.0 |
Heavy Atoms | 27.0 |
Property Name | Value | Unit | Method |
---|---|---|---|
log P (octanol-water) | 2.16 | - | EXP |
Henry's Law Constant | 2.89E-22 | atm-m3/mole | EST |
Atmospheric OH Rate Constant | 2.63E-10 | cm3/molecule-sec | EST |
Water Solubility | 30.6 | mg/L | EST |
Vapor Pressure | 5.28E-17 | mm Hg | EST |
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
|
- | - | - | - | 20 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Bacterial Infections | 4 | D001424 | ClinicalTrials |
Pain | 3 | D010146 | ClinicalTrials |
Staphylococcal Infections | 3 | D013203 | ClinicalTrials |
Nasal Obstruction | 3 | D015508 | ClinicalTrials |
Chorioretinitis | 3 | D002825 | ClinicalTrials |
Vaginosis, Bacterial | 3 | D016585 | ClinicalTrials |
Skin Diseases | 3 | D012871 | ClinicalTrials |
Malaria | 3 | D008288 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Kidney Calculi | 3 | D007669 | ClinicalTrials |
Pneumonia, Pneumocystis | 3 | D011020 | ClinicalTrials |
Candidiasis, Vulvovaginal | 3 | D002181 | ClinicalTrials |
Prediabetic State | 2 | D011236 | ClinicalTrials |
Periapical Periodontitis | 2 | D010485 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
Sepsis | 1 | D018805 | ClinicalTrials |
Vaginitis | 0 | D014627 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 18323-44-9 |
ChEMBL | CHEMBL1753 |
DrugBank | DB01190 |
DrugCentral | 678 |
EPA CompTox | DTXSID2022836 |
FDA SRS | 3U02EL437C |
Guide to Pharmacology | 10607 |
PDB | CLY |
PubChem | 446598 |
SureChEMBL | SCHEMBL3154 |
ZINC | ZINC000004038341 |