Synonyms: | |
Status: | Approved (1969) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | A07AA06 |
UNII: | 61JJC8N5ZK |
InChI Key | UOZODPSAJZTQNH-LSWIJEOBSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C23H45N5O14 |
Molecular Weight | 615.63 |
AlogP | -8.86 |
Hydrogen Bond Acceptor | 19.0 |
Hydrogen Bond Donor | 13.0 |
Number of Rotational Bond | 9.0 |
Polar Surface Area | 347.32 |
Molecular species | BASE |
Aromatic Rings | 0.0 |
Heavy Atoms | 42.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Transferase
|
- | - | - | - | 29-60 | |
Other cytosolic protein
|
- | 38 | - | - | 80 | |
Unclassified protein
|
- | 38 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Leishmaniasis, Visceral | 3 | D007898 | ClinicalTrials |
Leishmaniasis, Cutaneous | 3 | D016773 | ClinicalTrials |
Leishmaniasis | 2 | D007896 | ClinicalTrials |
Osteomyelitis | 0 | D010019 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 7542-37-2 |
ChEBI | 7934 |
ChEMBL | CHEMBL370143 |
DrugBank | DB01421 |
DrugCentral | 2067 |
EPA CompTox | DTXSID8023424 |
FDA SRS | 61JJC8N5ZK |
Human Metabolome Database | HMDB0015490 |
KEGG | C00832 |
PDB | PAR |
PharmGKB | PA164784023 |
PubChem | 165580 |
SureChEMBL | SCHEMBL4072 |
ZINC | ZINC000060183170 |