Drug Information

Drug General Information
Drug ID
D01QUS
Former ID
DAP000292
Drug Name
Calcipotriol
Synonyms
Calcipotriene; Divonex; Dovonex; BMS-181161; Daivonex (TN); Dovonex (TN); MC-903; (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; (1S,5Z,7Z,17ALPHA,22E)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10,22-TETRAENE-1,3,24-TRIOL; 1-ALPHA,24S-(OH)2-22-ENE-26,27-DEHYDROVITAMIN D3
Drug Type
Small molecular drug
Indication Psoriasis [ICD9: 696; ICD10:L40] Approved [536361], [539823]
Therapeutic Class
Antipsoriatic Agents
Company
LEO Pharma Inc
Structure
Download
2D MOL

3D MOL
Formula
C27H40O3
InChI
InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
InChIKey
LWQQLNNNIPYSNX-UROSTWAQSA-N
CAS Number
CAS 112965-21-6
PubChem Compound ID
5288783
PubChem Substance ID
7848188, 7888845, 7978843, 11041473, 12014175, 14715113, 14855474, 14855477, 26719860, 39321118, 46386727, 46507122, 49681738, 50112719, 53789506, 56352848, 57359242, 71824952, 74547909, 92308501, 92308864, 103770649, 113872806, 124658943, 127310141, 127310142, 127310143, 127310144, 127310145, 127310146, 127310147, 127310148, 127310149, 127310150, 127310151, 135028596, 135650047, 135698205, 137156387, 139629435, 143493294, 143493295, 144206022, 151994658, 152164586, 152237515, 152238027, 152258045, 160646883, 160849066
ChEBI ID
ChEBI:50749
SuperDrug ATC ID
D05AX02
SuperDrug CAS ID
cas=112965216
Target and Pathway
Target(s) Vitamin D receptor Target Info Antagonist [536677]
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
Ref 536361Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20.
Ref 539823(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: 2778).
Ref 536677Cellular and molecular mechanisms involved in the action of vitamin D analogs targeting vitiligo depigmentation. Curr Drug Targets. 2008 Apr;9(4):345-59.

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