| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 29O079NTYT |
| Parent Compound: | DEMECLOCYCLINE |
Structure
| InChI Key | GVSJQNRGSCOSNJ-KBHRXELFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H22Cl2N2O8 |
| Molecular Weight | 501.32 |
| AlogP | 0.26 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 6.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 181.62 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 32.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Bacterial 70S ribosome inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 27.16 | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 3
Nuclear hormone receptor subfamily 3 group A
Nuclear hormone receptor subfamily 3 group A member 2
|
- | 61.42 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 104.72 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 1 | D010019 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 59725 |
| ChEMBL | CHEMBL1200474 |
| EPA CompTox | DTXSID0045252 |
| FDA SRS | 29O079NTYT |
| SureChEMBL | SCHEMBL41286 |
CONTENTS