Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0R8IE
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| Former ID |
DIB015725
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| Drug Name |
Inecalcitol oral
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| Synonyms |
Inecalcitol; TX-522; UNII-05FZV98342; TX 522; 163217-09-2; AC1OCD0K; 19-Nor-14-epi-23-yne-1,25 dihydroxyvitamin D3; 05FZV98342; (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol; (7E)-(1R,3R,14R)-19-nor-23-yne-9,10-seco-5,7-cholestadiene-1,3,25-triol; Inecalcitol [INN]; SCHEMBL754593; GTPL7747; CHEMBL2105107; LMST03020649; 8151AH; ZINC12504514; AKOS025312295; AN-7569; DB04796; Inecalcitol; TX-527; Vitamin D analogs, Catholic University of Leuven; Vitamin D analogs, KULeuven; Inecalcitol (oral, hyperthyroidism), Hybrigenics; Inecalcitol (sc, psoriasis), Hybrigenics; Vitamin D analog (sc, psoriasis), Hybrigenics; Inecalcitol (oral, prostate cancer/psoriasis), Hybrigenics; 19-nor-14-epi-23-yne-1,25 dihydroxyvitamin D3
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| Drug Type |
Small molecular drug
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| Indication | Acute myeloid leukaemia [ICD-11: 2A60] | Phase 2 | [1] | |
| Prostate cancer [ICD-11: 2C82.0; ICD-10: C61; ICD-9: 185] | Phase 2 | [2], [3] | ||
| Company |
Catholic University of Leuven; Hybrigenics
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| Structure |
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Download2D MOL |
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| Formula |
C26H40O3
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| Canonical SMILES |
CC(CC#CC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C
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| InChI |
1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1
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| InChIKey |
HHGRMHMXKPQNGF-WNSNRMDMSA-N
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| CAS Number |
CAS 163217-09-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vitamin D3 receptor (VDR) | Target Info | Agonist | [3], [4] |
| KEGG Pathway | Endocrine and other factor-regulated calcium reabsorption | |||
| Mineral absorption | ||||
| Tuberculosis | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Panther Pathway | Vitamin D metabolism and pathway | |||
| Pathway Interaction Database | Regulation of nuclear SMAD2/3 signaling | |||
| Direct p53 effectors | ||||
| RXR and RAR heterodimerization with other nuclear receptor | ||||
| Retinoic acid receptors-mediated signaling | ||||
| Validated transcriptional targets of deltaNp63 isoforms | ||||
| Validated transcriptional targets of TAp63 isoforms | ||||
| Reactome | Nuclear Receptor transcription pathway | |||
| WikiPathways | Ovarian Infertility Genes | |||
| Nuclear Receptors in Lipid Metabolism and Toxicity | ||||
| Nuclear Receptors Meta-Pathway | ||||
| Vitamin D Receptor Pathway | ||||
| Drug Induction of Bile Acid Pathway | ||||
| Nuclear Receptors | ||||
| Vitamin D Metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7747). | |||
| REF 3 | Inecalcitol, an analog of 1,25D3, displays enhanced antitumor activity through the induction of apoptosis in a squamous cell carcinoma model system. Cell Cycle. 2013 Mar 1;12(5):743-52. | |||
| REF 4 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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