| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN Prodrug |
| ATC: | D10AD04 |
| UNII: | EH28UP18IF |
Structure
| InChI Key | SHGAZHPCJJPHSC-XFYACQKRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C20H28O2 | |
| Molecular Weight | 300.44 | |
| AlogP | 5.6 | |
| Hydrogen Bond Acceptor | 1.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 5.0 | |
| Polar Surface Area | 37.3 | |
| Molecular species | ACID | |
| Aromatic Rings | 0.0 | |
| Heavy Atoms | 22.0 |
Pharmacology
| Action | Mechanism of Action | Reference | |
|---|---|---|---|
| AGONIST | Retinoic acid receptor agonist | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 1 | ||
|
Enzyme
Lyase
|
- | - | - | - | 72-96 | ||
|
Other cytosolic protein
|
- | 900-900 | - | - | - | ||
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 32 | ||
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 37100-37100 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference | ||
|---|---|---|---|---|---|
| Lung Neoplasms | 3 | D008175 | ClinicalTrials | ||
| Brain Neoplasms | 3 | D001932 | ClinicalTrials | ||
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials | ||
| Central Nervous System Neoplasms | 3 | D016543 | ClinicalTrials | ||
| Neuroblastoma | 3 | D009447 | ClinicalTrials | ||
| Medulloblastoma | 3 | D008527 | ClinicalTrials | ||
| Kidney Neoplasms | 3 | D007680 | ClinicalTrials | ||
| Head and Neck Neoplasms | 3 | D006258 | ClinicalTrials | ||
| Uterine Cervical Dysplasia | 3 | D002578 | ClinicalTrials | ||
| Rosacea | 3 | D012393 | ClinicalTrials | ||
| Keratosis, Actinic | 2 | D055623 | ClinicalTrials | ||
| Glomerulosclerosis, Focal Segmental | 2 | D005923 | ClinicalTrials | ||
| Leukemia, Myelomonocytic, Juvenile | 2 | D054429 | ClinicalTrials | ||
| Mycosis Fungoides | 2 | D009182 | ClinicalTrials | ||
| Leukemia | 2 | D007938 | ClinicalTrials | ||
| Tinea Pedis | 2 | D014008 | ClinicalTrials | ||
| Azoospermia | 2 | D053713 | ClinicalTrials | ||
| Emphysema | 2 | D004646 | ClinicalTrials | ||
| Ganglioneuroblastoma | 2 | D018305 | ClinicalTrials | ||
| Klinefelter Syndrome | 2 | D007713 | ClinicalTrials | ||
| HIV Infections | 2 | D015658 | ClinicalTrials | ||
| Multiple Myeloma | 2 | D009101 | ClinicalTrials | ||
| Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials | ||
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials | ||
| Ichthyosis | 2 | D007057 | ClinicalTrials | ||
| Oligodendroglioma | 1 | D009837 | ClinicalTrials | ||
| Infections | 1 | D007239 | ClinicalTrials | ||
| Alzheimer Disease | 1 | D000544 | ClinicalTrials | ||
| Hodgkin Disease | 1 | D006689 | ClinicalTrials | ||
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials | ||
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials | ||
| Leukemia, Promyelocytic, Acute | 1 | D015473 | ClinicalTrials | ||
| Burkitt Lymphoma | 1 | D002051 | ClinicalTrials | ||
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 1 | D015464 | ClinicalTrials | ||
| Lymphoma, Large B-Cell, Diffuse | 1 | D016403 | ClinicalTrials | ||
| Glioblastoma | 1 | D005909 | ClinicalTrials | ||
| Neoplasms | 1 | D009369 | ClinicalTrials | ||
| Carcinoma, Renal Cell | 1 | D002292 | ClinicalTrials | ||
| Astrocytoma | 1 | D001254 | ClinicalTrials | ||
| Oligodendroglioma | 1 | D009837 | ClinicalTrials | ||
| Epidermolysis Bullosa | 1 | D004820 | ClinicalTrials | ||
| Gliosarcoma | 1 | D018316 | ClinicalTrials | ||
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 1 | D054198 | ClinicalTrials | ||
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 1 | D054198 | ClinicalTrials | ||
| Glioma | 1 | D005910 | ClinicalTrials |
Related Entries
MCS
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4759-48-2 |
| ChEBI | 6067 |
| ChEMBL | CHEMBL547 |
| DrugBank | DB00982 |
| DrugCentral | 1508 |
| EPA CompTox | DTXSID4023177 |
| FDA SRS | EH28UP18IF |
| Human Metabolome Database | HMDB0006219 |
| Guide to Pharmacology | 7600 |
| KEGG | C07058 |
| PDB | REA |
| PubChem | 5282379 |
| SureChEMBL | SCHEMBL38299 |
| ZINC | ZINC000003792789 |
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