Synonyms: | |
Status: | Approved (1973) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A07AA08 |
UNII: | EQK9Q303C5 |
InChI Key | SBUJHOSQTJFQJX-NOAMYHISSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H36N4O11 |
Molecular Weight | 484.5 |
AlogP | -7.29 |
Hydrogen Bond Acceptor | 15.0 |
Hydrogen Bond Donor | 11.0 |
Number of Rotational Bond | 6.0 |
Polar Surface Area | 282.61 |
Molecular species | BASE |
Aromatic Rings | 0.0 |
Heavy Atoms | 33.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | - | - | - | 18 | |
Enzyme
|
- | 6800 | - | - | 18 | |
Unclassified protein
|
- | 9400-11500 | 100 | - | 100 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Tuberculosis | 3 | D014376 | ClinicalTrials |
Tuberculosis, Multidrug-Resistant | 2 | D018088 | ClinicalTrials |
Osteomyelitis | 0 | D010019 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 59-01-8 |
ChEBI | 17630 |
ChEMBL | CHEMBL1384 |
DrugBank | DB01172 |
DrugCentral | 1519 |
EPA CompTox | DTXSID3023184 |
FDA SRS | EQK9Q303C5 |
Human Metabolome Database | HMDB0015303 |
KEGG | C01822 |
PDB | KAN |
PharmGKB | PA450137 |
SureChEMBL | SCHEMBL2735 |
ZINC | ZINC000008214590 |