Trade Names: | |
Synonyms: | |
Status: | Approved (1975) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C01AA05 |
UNII: | 73K4184T59 |
InChI Key | LTMHDMANZUZIPE-PUGKRICDSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C41H64O14 |
Molecular Weight | 780.95 |
AlogP | 2.22 |
Hydrogen Bond Acceptor | 14.0 |
Hydrogen Bond Donor | 6.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 203.06 |
Molecular species | NEUTRAL |
Aromatic Rings | 0.0 |
Heavy Atoms | 55.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Hydrolase
|
- | 270-400 | - | - | - | |
Ion channel
Other ion channel
Phospholemman family
|
- | 270-400 | - | - | - | |
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group F
Nuclear hormone receptor subfamily 1 group F member 3
|
- | 1980-85400 | 109 | - | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | 13183 | - | - | 36-81 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 47 | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | - | - | - | 1 | |
Transporter
Primary active transporter
P-type ATPase
Sodium potassium ATPase
|
- | 270-400 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Tachycardia, Supraventricular | 3 | D013617 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
Arthritis, Rheumatoid | 2 | D001172 | ClinicalTrials |
Keratosis, Actinic | 2 | D055623 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Sarcoma, Kaposi | 2 | D012514 | ClinicalTrials |
Non-alcoholic Fatty Liver Disease | 2 | D065626 | ClinicalTrials |
Essential Hypertension | 1 | D000075222 | ClinicalTrials |
Angioedemas, Hereditary | 1 | D054179 | ClinicalTrials |
Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
Inflammation | 1 | D007249 | ClinicalTrials |
von Hippel-Lindau Disease | 1 | D006623 | ClinicalTrials |
Influenza, Human | 1 | D007251 | ClinicalTrials |
Depressive Disorder, Major | 1 | D003865 | ClinicalTrials |
Depressive Disorder | 1 | D003866 | ClinicalTrials |
Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
Epilepsy | 1 | D004827 | ClinicalTrials |
Hepatitis C | 1 | D006526 | ClinicalTrials |
HIV Infections | 1 | D015658 | ClinicalTrials |
Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
Diabetes Mellitus | 1 | D003920 | ClinicalTrials |
Neoplasms | 1 | D009369 | ClinicalTrials |
Melanoma | 1 | D008545 | ClinicalTrials |
Cytomegalovirus Infections | 1 | D003586 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
Nausea | 1 | D009325 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 20830-75-5 |
ChEBI | 4551 |
ChEMBL | CHEMBL1751 |
DrugBank | DB00390 |
DrugCentral | 882 |
EPA CompTox | DTXSID5022934 |
FDA SRS | 73K4184T59 |
Human Metabolome Database | HMDB0001917 |
Guide to Pharmacology | 4726 |
KEGG | C06956 |
PDB | DGX |
PubChem | 2724385 |
SureChEMBL | SCHEMBL20506 |
ZINC | ZINC000242548690 |