| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H18N2O4S |
| Molecular Weight | 334.4 |
| AlogP | 0.86 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 86.71 |
| Molecular species | None |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | 1.83 | - | EXP |
| pKa Dissociation Constant | 2.74 | - | EXP |
| Henry's Law Constant | 1.16E-14 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 6.97E-11 | cm3/molecule-sec | EST |
| Water Solubility | 210 | mg/L | EST |
| Vapor Pressure | 2.55E-12 | mm Hg | EST |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | 20000 | 0.6285-10.47 | |
|
Enzyme
Protease
Serine protease
Serine protease unclassified
|
- | 0.002-0.031 | - | - | - | |
|
Enzyme
Protease
|
- | 0.002-0.031 | - | - | - | |
|
Enzyme
Transferase
|
- | 2-64 | - | - | 13 | |
|
Other cytosolic protein
|
- | - | 5.2-5.69 | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC15 family of peptide transporters
|
- | - | - | 10964781.96-11000000 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 40.9 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 89400 | - | 418000-1680000 | - | |
|
Unclassified protein
|
- | 0.007-0.264 | 5.2-5.69 | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tonsillitis | 3 | D014069 | ClinicalTrials |
| Pharyngitis | 3 | D010612 | ClinicalTrials |
| Pneumococcal Infections | 3 | D011008 | ClinicalTrials |
| Syphilis | 2 | D013587 | ClinicalTrials |
| Rheumatic Heart Disease | 2 | D012214 | ClinicalTrials |
| Osteomyelitis | 1 | D010019 | ClinicalTrials |
Related Entries
MCS
CONTENTS