Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09ZJQ
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| Former ID |
DNC002735
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| Drug Name |
Seocalcitol
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| Synonyms |
Seocalcitol; 134404-52-7; UNII-Q0OZ0D9223; EB-1089; Q0OZ0D9223; EB1089; EB 1089; Seocalcitol [INN:BAN]; CB-1089; (22E,24E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23,24,24a-tetradehydro-24a-homovitamin D3 / (22E,24E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23,24,24a-tetradehydro-24a-homocholecalciferol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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| Drug Type |
Small molecular drug
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| Indication | Rickets [ICD-11: 5B57; ICD-10: E55, E55.9] | Phase 3 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C30H46O3
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| Canonical SMILES |
CCC(CC)(C=CC=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
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| InChI |
1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1
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| InChIKey |
LVLLALCJVJNGQQ-SEODYNFXSA-N
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| CAS Number |
CAS 134404-52-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7887270, 11041392, 12014623, 14715324, 14857869, 14882215, 39320616, 50941918, 53790436, 53790557, 57359213, 113871289, 135650217, 136926681, 138925855, 139732751, 152258774, 160647625, 184812063, 198988491, 223860403, 237149395, 241032418, 241376751, 249618047, 251916465, 251917813, 252157698, 252480909
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Vitamin D3 receptor (VDR) | Target Info | Inhibitor | [3] |
| 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 | 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: 2777). | |||
| REF 2 | Seocalcitol (EB 1089): a vitamin D analogue of anti-cancer potential. Background, design, synthesis, pre-clinical and clinical evaluation. Curr Pharm Des. 2000 May;6(7):803-28. | |||
| REF 3 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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