| Synonyms: | |
| Status: | Approved (1950) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A01AB21 |
| UNII: | WCK1KIQ23Q |
Structure
| InChI Key | CYDMQBQPVICBEU-XRNKAMNCSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H23ClN2O8 |
| Molecular Weight | 478.89 |
| AlogP | 0.44 |
| 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 | 33.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4A
|
- | 100000 | - | - | - | |
|
Enzyme
|
- | 100000 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Purine receptor
|
- | - | - | - | 6 | |
|
Unclassified protein
|
- | - | - | - | 40 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 27644 |
| ChEMBL | CHEMBL404520 |
| DrugBank | DB09093 |
| DrugCentral | 624 |
| EPA CompTox | DTXSID9022811 |
| FDA SRS | WCK1KIQ23Q |
| KEGG | C06571 |
| PDB | CTC |
| SureChEMBL | SCHEMBL3110 |
| ZINC | ZINC000019701769 |
CONTENTS