| Synonyms: | |
| Status: | Approved (1981) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D06AX12 |
| UNII: | 84319SGC3C |
Structure
| InChI Key | LKCWBDHBTVXHDL-RMDFUYIESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H43N5O13 |
| Molecular Weight | 585.61 |
| AlogP | -8.42 |
| Hydrogen Bond Acceptor | 17.0 |
| Hydrogen Bond Donor | 13.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 331.94 |
| Molecular species | BASE |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 40.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 25 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cystic Fibrosis | 3 | D003550 | ClinicalTrials |
| Pneumonia, Bacterial | 3 | D018410 | ClinicalTrials |
| Pneumonia, Ventilator-Associated | 3 | D053717 | ClinicalTrials |
| Mycobacterium Infections | 3 | D009164 | ClinicalTrials |
| Pneumonia | 2 | D011014 | ClinicalTrials |
| Tuberculosis | 1 | D014376 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 0 | D029424 | ClinicalTrials |
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 37517-28-5 |
| ChEBI | 2637 |
| ChEMBL | CHEMBL177 |
| DrugBank | DB00479 |
| DrugCentral | 157 |
| EPA CompTox | DTXSID3022586 |
| FDA SRS | 84319SGC3C |
| Human Metabolome Database | HMDB0014622 |
| Guide to Pharmacology | 10894 |
| KEGG | C06820 |
| PDB | AKN |
| PharmGKB | PA164744372 |
| PubChem | 37768 |
| SureChEMBL | SCHEMBL2985 |
| ZINC | ZINC000008214483 |
CONTENTS