Details of the Drug

General Information of Drug (ID: DMGU74E)

Drug Name

Cholecalciferol

Synonyms

Arachitol; Calciol; Cholecalciferolum; Colecalciferol; Colecalciferolo; Colecalciferolum; Colecalcipherol; Delsterol; Deparal; Ebivit; FeraCol; Provitamine; Provitina; Rampage; Ricketon; Trivitan; Vigorsan; Colecalciferolo [DCIT]; VITAMIN D; Duphafral D3 1000; LT00244775; NEO Dohyfral D3; Oleovitamin D3; TNP00266; VITAMIN D3 POWDER; VITAMIN_D3; Vitamin D3; Vitamin D3 emulsifiable; Activated 7-dehydrocholesterol; Cholecalciferol (D3); Cholecalciferol, D3; Colecalciferol (INN); Colecalciferolum [INN-Latin]; D3-Vicotrat; D3-Vigantol; Delta-D; Irradiated 7-dehydrocholesterol; Micro-dee; Vitamin d-3; Cholecalciferol (JP15/USP); Cholecalciferol [USAN:BAN:JAN]; Delta-D (TN); Vitinc Dan-Dee-3; Vi-de-3-hydrosol; (+)-Vitamin D3; (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol; (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol; (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol; (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol; 25(OH)D; 7-Dehydrocholesterol activated; 7-Dehydrocholesterol, Activated; 7-Dehydrocholesterol, irradiated; 7-Dehydrocholestrol, activated; 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol; 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3beta-ol; 9,10-Secocholesta-5(Z),7(E),10(19)-trien-3(beta.)-ol; 9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol

Indication

Disease Entry	ICD 11	Status	REF
Vitamin D deficiency	5B57	Approved	[1], [2]

Therapeutic Class

Vitamins

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

384.6

Topological Polar Surface Area (xlogp)

7.9

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [3]
Water Solubility: The ability of drug to dissolve in water is measured as 0.1 mg/mL [3]

Chemical Identifiers

Formula: C27H44O
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Canonical SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](CCC3=C)O)C
InChI: InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

Cross-matching ID

PubChem CID: 5280795
ChEBI ID: CHEBI:28940
CAS Number: 67-97-0
DrugBank ID: DB00169
TTD ID: D0K5WS
ACDINA ID: D00128

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vitamin D3 receptor (VDR)	TTK59TV	VDR_HUMAN	Binder	[4], [5], [6]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Vitamin D deficiency

ICD Disease Classification

5B57

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vitamin D3 receptor (VDR)	DTT	VDR	1.69E-02	-0.23	-0.66

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Cholecalciferol (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Magnesium Sulfate	DMVEK07	Moderate	Increased risk of hypermagnesemia by the combination of Cholecalciferol and Magnesium Sulfate.	Acute pain [MG31]	[16]
Butalbital	DM9J04X	Moderate	Increased metabolism of Cholecalciferol caused by Butalbital mediated induction of CYP450 enzyme.	Anxiety disorder [6B00-6B0Z]	[16]
Methylphenobarbital	DMDSWAG	Moderate	Increased metabolism of Cholecalciferol caused by Methylphenobarbital mediated induction of CYP450 enzyme.	Anxiety disorder [6B00-6B0Z]	[16]
Secobarbital	DM14RF5	Moderate	Increased metabolism of Cholecalciferol caused by Secobarbital mediated induction of CYP450 enzyme.	Chronic insomnia [7A00]	[16]
Primidone	DM0WX6I	Moderate	Increased metabolism of Cholecalciferol caused by Primidone mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[16]
Felbamate	DM1V5ZS	Moderate	Increased metabolism of Cholecalciferol caused by Felbamate mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[16]
Oxcarbazepine	DM5PU6O	Moderate	Increased metabolism of Cholecalciferol caused by Oxcarbazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[16]
Phenytoin	DMNOKBV	Moderate	Increased metabolism of Cholecalciferol caused by Phenytoin mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[16]
Fosphenytoin	DMOX3LB	Moderate	Increased metabolism of Cholecalciferol caused by Fosphenytoin mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[16]
Phenobarbital	DMXZOCG	Moderate	Increased metabolism of Cholecalciferol caused by Phenobarbital mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[16]
Carbamazepine	DMZOLBI	Moderate	Increased metabolism of Cholecalciferol caused by Carbamazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[16]
Cimetidine	DMH61ZB	Minor	Decreased metabolism of Cholecalciferol caused by Cimetidine mediated inhibition of non-CYP450 enzyme.	Gastro-oesophageal reflux disease [DA22]	[17]
Isoniazid	DM5JVS3	Moderate	Increased metabolism of Cholecalciferol caused by Isoniazid mediated induction of CYP450 enzyme.	HIV-infected patients with tuberculosis [1B10-1B14]	[16]
Rifampin	DMA8J1G	Moderate	Increased metabolism of Cholecalciferol caused by Rifampin mediated induction of CYP450 enzyme.	HIV-infected patients with tuberculosis [1B10-1B14]	[16]
Amobarbital	DM0GQ8N	Moderate	Increased metabolism of Cholecalciferol caused by Amobarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[16]
Butabarbital	DMC5AST	Moderate	Increased metabolism of Cholecalciferol caused by Butabarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[16]
Pentobarbital	DMFNH7L	Moderate	Increased metabolism of Cholecalciferol caused by Pentobarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[16]
Rifabutin	DM1YBHK	Moderate	Increased metabolism of Cholecalciferol caused by Rifabutin mediated induction of CYP450 enzyme.	Mycobacterium infection [1B10-1B21]	[16]
Orlistat	DMRJSP8	Minor	Decreased absorption of Cholecalciferol caused by Orlistat.	Obesity [5B80-5B81]	[18]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Quinoline yellow WS	E00309	24671	Colorant
Sunset yellow FCF	E00255	17730	Colorant
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Glycerin	E00026	753	Antimicrobial preservative; Emollient; Flavoring agent; Humectant; Lubricant; Plasticizing agent; Solvent; Suppository base; Tonicity agent; Viscosity-controlling agent
Magnesium stearate	E00208	11177	lubricant
Polysorbate 80	E00665	Not Available	Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
Water	E00035	962	Solvent
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⏷ Show the Full List of 9 Pharmaceutical Excipients of This Drug

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Cholecalciferol 10000 unt capsule	10000 unt	Oral Capsule	Oral
Cholecalciferol 50000 unt capsule	50000 unt	Oral Capsule	Oral
Cholecalciferol 25000 unt capsule	25000 unt	Oral Capsule	Oral
Cholecalciferol 50000 unt tablet	50000 unt	Oral Tablet	Oral

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References

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: 2747).
2	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 021762.
3	BDDCS applied to over 900 drugs
4	[Vitamin D2 or vitamin D3]. Rev Med Interne. 2008 Oct;29(10):815-20.
5	Genetic polymorphisms in vitamin D receptor, vitamin D-binding protein, Toll-like receptor 2, nitric oxide synthase 2, and interferon-gamma genes and its association with susceptibility to tuberculosis. Braz J Med Biol Res. 2009 Apr;42(4):312-22.
6	Overview of general physiologic features and functions of vitamin D. Am J Clin Nutr. 2004 Dec;80(6 Suppl):1689S-96S.
7	Vitamin D in health and disease. Clin J Am Soc Nephrol. 2008 Sep;3(5):1535-41.
8	Kaposi sarcoma is a therapeutic target for vitamin D(3) receptor agonist. Blood. 2000 Nov 1;96(9):3188-94.
9	Emerging drugs for psoriasis. Expert Opin Emerg Drugs. 2009 Mar;14(1):145-63.
10	Cellular and molecular mechanisms involved in the action of vitamin D analogs targeting vitiligo depigmentation. Curr Drug Targets. 2008 Apr;9(4):345-59.
11	Synthesis and biological evaluations of A-ring isomers of 26,26,26,27,27,27-hexafluoro-1,25-dihydroxyvitamin D3. Bioorg Med Chem. 2000 Aug;8(8):2157-66.
12	In vivo metabolism of the vitamin D analog, dihydrotachysterol. Evidence for formation of 1 alpha,25- and 1 beta,25-dihydroxy-dihydrotachysterol metabolites and studies of their biological activity. J Biol Chem. 1993 Jan 5;268(1):282-92.
13	New acquisitions in therapy of secondary hyperparathyroidism in chronic kidney disease and peritoneal dialysis patients: role of vitamin D receptor... Contrib Nephrol. 2009;163:219-226.
14	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
15	Evidence for tissue- and cell-type selective activation of the vitamin D receptor by Ro-26-9228, a noncalcemic analog of vitamin D3. J Cell Biochem. 2003 Feb 1;88(2):267-73.
16	Product Information. Hectorol (doxercalciferol). Genzyme Corporation, Cambridge, MA.
17	Odes HS, Fraser GM, Krugliak P, et al "Effect of cimetidine on hepatic vitamin D metabolism in humans." Digestion 46 (1990): 61-4. [PMID: 2253823]
18	Product Information. Xenical (orlistat). Roche Laboratories, Nutley, NJ.