| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D06AA01 |
| UNII: | 5R5W9ICI6O |
Structure
| InChI Key | FMTDIUIBLCQGJB-SEYHBJAFSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H21ClN2O8 |
| Molecular Weight | 464.86 |
| 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
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Unclassified protein
|
- | - | - | - | 40 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 127-33-3 |
| ChEBI | 4392 |
| ChEMBL | CHEMBL1591 |
| DrugBank | DB00618 |
| DrugCentral | 802 |
| EPA CompTox | DTXSID1022893 |
| FDA SRS | 5R5W9ICI6O |
| Human Metabolome Database | HMDB0014756 |
| Guide to Pharmacology | 10905 |
| SureChEMBL | SCHEMBL23723072 |
| ZINC | ZINC000100036924 |
CONTENTS