MC9

CALCIPOTRIOL

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	CALCIPOTRIOL
Synonyms	(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
Identifiers	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula	C₂₇ H₄₀ O₃
Molecular Weight	412.605
Type	NON-POLYMER
Isomeric SMILES	C[C@H](\C=C\[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
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

Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	7
Bond Count	73
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB02300
Name	Calcipotriol
Groups	approved
Description	Calcipotriol (INN) or calcipotriene (USAN) is a sythetic derivative of calcitriol or Vitamin D.
Synonyms	Calcipotriol hydrate Calcipotriol Calcipotriene
Brand Names	CALSODORE kit NuDermRxPAK 120 Taclonex Teva-betamethasone/ Calcipotriol Wynzora Calcipotriene Foam Taclonex Scalp Calcipotriene 0.005% / Niacinamide 4% Calcipotriene Calcipotriene 0.005% / Diclofenac Sodium 3% / Hyaluronic Acid Sodium Salt 2% / Niacinamide 2% Dovonex Calcipotriene 0.005% / Triamcinolone Acetonide 0.1% Taro-calcipotriol / Betamethasone Gel Calcipotriene 0.005% 60 gram Foam Calcitrene Calcipotriene and Betamethasone Dipropionate Kalosar Trionex Dovobet Ointment Dovobet Gel Calsodore Sorilux Dovonex Solution - Top 50mcg/ml Dovonex - Crm 50mcg/gm Enstilar NuDermRxPAK 60 Calcipotriene 0.005% / Clobetasol Propionate 0.05%
Indication	For the treatment of moderate plaque psoriasis in adults.
Categories	Antipsoriatics Antipsoriatics for Topical Use Cholestanes Cholestenes Dermatologicals Fused-Ring Compounds Lipids Membrane Lipids Misc. Skin and Mucous Membrane Agents Secosteroids Steroids Sterols Vitamin D and Analogues Vitamins Vitamins (Fat Soluble)
ATC-Code	D05AX52 D05AX02
CAS number	112965-21-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Vitamin D3 receptor	MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRR...	unknown	antagonist
Myeloperoxidase	MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAA...	unknown	inhibitor
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial	MSSPISKSRSLAAFLQQLRSPRQPPRLVTSTAYTSPQPREVPVCPLTAGG...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682