| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | 1C6V77QF41 |
Structure
| InChI Key | QYSXJUFSXHHAJI-YRZJJWOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C27H44O |
| Molecular Weight | 384.65 |
| AlogP | 7.62 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 20.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| AGONIST | Vitamin D receptor agonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 14.36 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -13.36-1.97 | |
|
Ion channel
Ligand-gated ion channel
Glycine receptor
|
400 | - | - | - | - | |
|
Other cytosolic protein
|
- | 11000 | - | - | - | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 1
|
0.21 | 87 | - | - | 8336 | |
|
Unclassified protein
|
- | 22000-31000 | - | - | 74-80 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| HIV Infections | 3 | D015658 | ClinicalTrials |
| Multiple Sclerosis, Relapsing-Remitting | 3 | D020529 | ClinicalTrials |
| Vitamin D Deficiency | 3 | D014808 | ClinicalTrials |
| Crohn Disease | 3 | D003424 | ClinicalTrials |
| Adenoma | 3 | D000236 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 3 | D015451 | ClinicalTrials |
| Obesity | 3 | D009765 | ClinicalTrials |
| Infections | 3 | D007239 | ClinicalTrials |
| Cognitive Dysfunction | 3 | D060825 | ClinicalTrials |
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Hepatitis C | 3 | D006526 | ClinicalTrials |
| Renal Insufficiency, Chronic | 3 | D051436 | ClinicalTrials |
| Prostatic Neoplasms | 3 | D011471 | ClinicalTrials |
| Non-alcoholic Fatty Liver Disease | 3 | D065626 | ClinicalTrials |
| Pregnancy | 3 | D011247 | ClinicalTrials |
| Osteoporosis, Postmenopausal | 3 | D015663 | ClinicalTrials |
| Melanoma | 3 | D008545 | ClinicalTrials |
| Cardiovascular Diseases | 3 | D002318 | ClinicalTrials |
| Fractures, Bone | 3 | D050723 | ClinicalTrials |
| HIV Infections | 3 | D015658 | ClinicalTrials |
| Polycystic Ovary Syndrome | 3 | D011085 | ClinicalTrials |
| Colitis, Ulcerative | 3 | D003093 | ClinicalTrials |
| Arthritis, Juvenile | 3 | D001171 | ClinicalTrials |
| Hip Fractures | 3 | D006620 | ClinicalTrials |
| Diabetes, Gestational | 3 | D016640 | ClinicalTrials |
| Urticaria | 3 | D014581 | ClinicalTrials |
| Tuberculosis, Pulmonary | 3 | D014397 | ClinicalTrials |
| Bone Diseases, Metabolic | 3 | D001851 | ClinicalTrials |
| Lipid Metabolism Disorders | 3 | D052439 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Epilepsy | 3 | D004827 | ClinicalTrials |
| Influenza, Human | 3 | D007251 | ClinicalTrials |
| Helicobacter Infections | 3 | D016481 | ClinicalTrials |
| Hypogonadism | 3 | D007006 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
| Hyperparathyroidism | 3 | D006961 | ClinicalTrials |
| Inflammatory Bowel Diseases | 3 | D015212 | ClinicalTrials |
| Asthma | 3 | D001249 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Diabetes Mellitus, Type 1 | 3 | D003922 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Tuberculosis | 3 | D014376 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 3 | D016403 | ClinicalTrials |
| Lupus Erythematosus, Systemic | 3 | D008180 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Prostatic Neoplasms | 3 | D011471 | ClinicalTrials |
| Colorectal Neoplasms | 3 | D015179 | ClinicalTrials |
| Hematologic Neoplasms | 2 | D019337 | ClinicalTrials |
| Hereditary Breast and Ovarian Cancer Syndrome | 2 | D061325 | ClinicalTrials |
| Optic Neuritis | 2 | D009902 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 2 | D015470 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Psoriasis | 2 | D011565 | ClinicalTrials |
| Colonic Neoplasms | 2 | D003110 | ClinicalTrials |
| Hypersensitivity | 2 | D006967 | ClinicalTrials |
| Infertility, Male | 2 | D007248 | ClinicalTrials |
| Depressive Disorder | 2 | D003866 | ClinicalTrials |
| Psychotic Disorders | 2 | D011618 | ClinicalTrials |
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
| Staphylococcal Infections | 2 | D013203 | ClinicalTrials |
| Urinary Tract Infections | 2 | D014552 | ClinicalTrials |
| Prediabetic State | 2 | D011236 | ClinicalTrials |
| Respiratory Insufficiency | 2 | D012131 | ClinicalTrials |
| Bronchiolitis | 2 | D001988 | ClinicalTrials |
| Keratosis, Actinic | 2 | D055623 | ClinicalTrials |
| Common Cold | 2 | D003139 | ClinicalTrials |
| Neurofibromatosis 1 | 2 | D009456 | ClinicalTrials |
| Malnutrition | 2 | D044342 | ClinicalTrials |
| Diabetes Mellitus | 2 | D003920 | ClinicalTrials |
| Glucose Intolerance | 2 | D018149 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 2 | D029424 | ClinicalTrials |
| Acquired Immunodeficiency Syndrome | 2 | D000163 | ClinicalTrials |
| Metabolic Syndrome | 2 | D024821 | ClinicalTrials |
| Rectal Neoplasms | 2 | D012004 | ClinicalTrials |
| Conjunctivitis, Allergic | 2 | D003233 | ClinicalTrials |
| Dermatitis, Atopic | 2 | D003876 | ClinicalTrials |
| Aging | 2 | D000375 | ClinicalTrials |
| Autistic Disorder | 2 | D001321 | ClinicalTrials |
| Nasal Obstruction | 1 | D015508 | ClinicalTrials |
| Primary Immunodeficiency Diseases | 1 | D000081207 | ClinicalTrials |
| Burns | 1 | D002056 | ClinicalTrials |
| Irritable Bowel Syndrome | 1 | D043183 | ClinicalTrials |
| Hyperlipidemias | 1 | D006949 | ClinicalTrials |
| Carcinoma, Intraductal, Noninfiltrating | 1 | D002285 | ClinicalTrials |
| Tibial Fractures | 1 | D013978 | ClinicalTrials |
| Anemia, Sickle Cell | 1 | D000755 | ClinicalTrials |
| Barrett Esophagus | 1 | D001471 | ClinicalTrials |
| Gingivitis | 1 | D005891 | ClinicalTrials |
| Glioblastoma | 1 | D005909 | ClinicalTrials |
| Skin Diseases | 1 | D012871 | ClinicalTrials |
| Adrenoleukodystrophy | 1 | D000326 | ClinicalTrials |
| Skin Neoplasms | 1 | D012878 | ClinicalTrials |
| Carcinoma in Situ | 1 | D002278 | ClinicalTrials |
| Pneumonia | 1 | D011014 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67-97-0 |
| ChEBI | 28940 |
| ChEMBL | CHEMBL1042 |
| DrugBank | DB00169 |
| DrugCentral | 2840 |
| EPA CompTox | DTXSID6026294 |
| FDA SRS | 1C6V77QF41 |
| Human Metabolome Database | HMDB14315 |
| KEGG | C05443 |
| PubChem | 5280795 |
| SureChEMBL | SCHEMBL3126 |
| ZINC | ZINC000004474460 |
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