| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1964) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D06AA03 |
| UNII: | SLF0D9077S |
Structure
| InChI Key | IWVCMVBTMGNXQD-PXOLEDIWSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H24N2O9 |
| Molecular Weight | 460.44 |
| AlogP | -1.24 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 7.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 201.85 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 33.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | -0.9 | - | EXP |
| pKa Dissociation Constant | 3.27 | - | EXP |
| Henry's Law Constant | 1.70E-25 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 2.65E-10 | cm3/molecule-sec | EST |
| Melting Point | 184.5 | deg C | EXP |
| Water Solubility | 313 | mg/L | EXP |
| Vapor Pressure | 9.68E-25 | mm Hg | EST |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Bacterial 70S ribosome inhibitor | KEGG |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 62 | |
|
Unclassified protein
|
- | - | - | - | 40 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Acne Vulgaris | 3 | D000152 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79-57-2 |
| ChEBI | 27701 |
| ChEMBL | CHEMBL1517 |
| DrugBank | DB00595 |
| DrugCentral | 2041 |
| EPA CompTox | DTXSID1034260 |
| FDA SRS | SLF0D9077S |
| Guide to Pharmacology | 10919 |
| KEGG | C06624 |
| PDB | OTC |
| SureChEMBL | SCHEMBL2899 |
| ZINC | ZINC000095626782 |
CONTENTS