Synonyms: | |
Status: | Approved (1968) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | V03AC01 |
UNII: | J06Y7MXW4D |
InChI Key | UBQYURCVBFRUQT-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C25H48N6O8 |
Molecular Weight | 560.69 |
AlogP | 0.92 |
Hydrogen Bond Acceptor | 9.0 |
Hydrogen Bond Donor | 6.0 |
Number of Rotational Bond | 23.0 |
Polar Surface Area | 205.84 |
Molecular species | BASE |
Aromatic Rings | 0.0 |
Heavy Atoms | 39.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | 5000 | - | - | - | |
Secreted protein
|
- | - | - | - | 87-94 | |
Transcription factor
|
17800 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
beta-Thalassemia | 3 | D017086 | ClinicalTrials |
Hemochromatosis | 3 | D006432 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
Cerebral Hemorrhage | 2 | D002543 | ClinicalTrials |
Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
Acute Kidney Injury | 2 | D058186 | ClinicalTrials |
Ischemic Stroke | 2 | D000083242 | ClinicalTrials |
Subarachnoid Hemorrhage | 2 | D013345 | ClinicalTrials |
Diabetic Foot | 2 | D017719 | ClinicalTrials |
Carcinoma, Hepatocellular | 1 | D006528 | ClinicalTrials |
Thalassemia | 1 | D013789 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 70-51-9 |
ChEBI | 4356 |
ChEMBL | CHEMBL556 |
DrugBank | DB00746 |
DrugCentral | 792 |
EPA CompTox | DTXSID7022887 |
FDA SRS | J06Y7MXW4D |
Human Metabolome Database | HMDB0014884 |
PharmGKB | PA164746490 |
PubChem | 2973 |
SureChEMBL | SCHEMBL34571 |
ZINC | ZINC000003830635 |