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
Adult acute monocytic leukemia	N.A.	Approved	[1]
Exostosis	N.A.	Approved	[1]
Hypercalcaemia	5B91.0	Approved	[1]
Hyperlipidemia	5C80.Z	Approved	[1]
Hypoparathyroidism	5A50	Approved	[1]
Osteoporosis	FB83.0	Approved	[1]
Pleural tuberculosis	N.A.	Approved	[1]
Primary hyperparathyroidism	N.A.	Approved	[1]
Rickets	5B57	Approved	[1]
Schizoaffective disorder	6A21	Approved	[1]
Vitamin D deficiency	5B57	Approved	[2]
Vitamin D-dependent rickets	N.A.	Approved	[1]
Vitamin deficiency	5B55-5B71	Approved	[1]
Coronavirus Disease 2019 (COVID-19)	1D6Y	Phase 3	[3]
Autosomal dominant hypocalcemia	5A50.0Y	Investigative	[1]
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Therapeutic Class

Vitamins

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

384.6

Logarithm of the Partition Coefficient (xlogp)

7.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [4]
Water Solubility: The ability of drug to dissolve in water is measured as 0.1 mg/mL [4]

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

Repurposed Drugs (RPD)

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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	[5]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (CYP24A1)	OTG2T749	CP24A_HUMAN	Gene/Protein Processing	[6]
5'-3' exonuclease PLD4 (PLD4)	OT5I74II	PLD4_HUMAN	Gene/Protein Processing	[7]
72 kDa type IV collagenase (MMP2)	OT5NIWA2	MMP2_HUMAN	Gene/Protein Processing	[8]
Adhesion G-protein coupled receptor G1 (ADGRG1)	OTQBB8NT	AGRG1_HUMAN	Gene/Protein Processing	[7]
Albumin (ALB)	OTVMM513	ALBU_HUMAN	Protein Interaction/Cellular Processes	[9]
Aldo-keto reductase family 1 member C1 (AKR1C1)	OTQKR4CM	AK1C1_HUMAN	Gene/Protein Processing	[10]
Ankyrin repeat domain-containing protein 22 (ANKRD22)	OT6CRQ67	ANR22_HUMAN	Gene/Protein Processing	[7]
Annexin A2 (ANXA2)	OTFNS0CC	ANXA2_HUMAN	Gene/Protein Processing	[7]
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Gene/Protein Processing	[11]
Apoptosis regulator Bcl-2 (BCL2)	OT9DVHC0	BCL2_HUMAN	Gene/Protein Processing	[11]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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]	[12]
Butalbital	DM9J04X	Moderate	Increased metabolism of Cholecalciferol caused by Butalbital mediated induction of CYP450 enzyme.	Anxiety disorder [6B00-6B0Z]	[12]
Methylphenobarbital	DMDSWAG	Moderate	Increased metabolism of Cholecalciferol caused by Methylphenobarbital mediated induction of CYP450 enzyme.	Anxiety disorder [6B00-6B0Z]	[12]
Secobarbital	DM14RF5	Moderate	Increased metabolism of Cholecalciferol caused by Secobarbital mediated induction of CYP450 enzyme.	Chronic insomnia [7A00]	[12]
Primidone	DM0WX6I	Moderate	Increased metabolism of Cholecalciferol caused by Primidone mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[12]
Felbamate	DM1V5ZS	Moderate	Increased metabolism of Cholecalciferol caused by Felbamate mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[12]
Oxcarbazepine	DM5PU6O	Moderate	Increased metabolism of Cholecalciferol caused by Oxcarbazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[12]
Phenytoin	DMNOKBV	Moderate	Increased metabolism of Cholecalciferol caused by Phenytoin mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[12]
Fosphenytoin	DMOX3LB	Moderate	Increased metabolism of Cholecalciferol caused by Fosphenytoin mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[12]
Phenobarbital	DMXZOCG	Moderate	Increased metabolism of Cholecalciferol caused by Phenobarbital mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[12]
Carbamazepine	DMZOLBI	Moderate	Increased metabolism of Cholecalciferol caused by Carbamazepine mediated induction of CYP450 enzyme.	Epilepsy/seizure [8A61-8A6Z]	[12]
Cimetidine	DMH61ZB	Minor	Decreased metabolism of Cholecalciferol caused by Cimetidine mediated inhibition of non-CYP450 enzyme.	Gastro-oesophageal reflux disease [DA22]	[13]
Isoniazid	DM5JVS3	Moderate	Increased metabolism of Cholecalciferol caused by Isoniazid mediated induction of CYP450 enzyme.	HIV-infected patients with tuberculosis [1B10-1B14]	[12]
Rifampin	DMA8J1G	Moderate	Increased metabolism of Cholecalciferol caused by Rifampin mediated induction of CYP450 enzyme.	HIV-infected patients with tuberculosis [1B10-1B14]	[12]
Amobarbital	DM0GQ8N	Moderate	Increased metabolism of Cholecalciferol caused by Amobarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[12]
Butabarbital	DMC5AST	Moderate	Increased metabolism of Cholecalciferol caused by Butabarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[12]
Pentobarbital	DMFNH7L	Moderate	Increased metabolism of Cholecalciferol caused by Pentobarbital mediated induction of CYP450 enzyme.	Insomnia [7A00-7A0Z]	[12]
Rifabutin	DM1YBHK	Moderate	Increased metabolism of Cholecalciferol caused by Rifabutin mediated induction of CYP450 enzyme.	Mycobacterium infection [1B10-1B21]	[12]
Orlistat	DMRJSP8	Minor	Decreased absorption of Cholecalciferol caused by Orlistat.	Obesity [5B80-5B81]	[14]
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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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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	Cholecalciferol FDA Label
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: 2747).
3	Cholecalciferol to Improve the Outcomes of COVID-19 Patients (CARED)
4	BDDCS applied to over 900 drugs
5	[Vitamin D2 or vitamin D3]. Rev Med Interne. 2008 Oct;29(10):815-20.
6	Arsenic trioxide inhibits nuclear receptor function via SEK1/JNK-mediated RXRalpha phosphorylation. J Clin Invest. 2005 Oct;115(10):2924-33.
7	Targeting iron homeostasis induces cellular differentiation and synergizes with differentiating agents in acute myeloid leukemia. J Exp Med. 2010 Apr 12;207(4):731-50. doi: 10.1084/jem.20091488. Epub 2010 Apr 5.
8	Cholecalciferol (vitamin D3) and the retinoid N-(4-hydroxyphenyl)retinamide (4-HPR) are synergistic for chemoprevention of prostate cancer. J Exp Ther Oncol. 2006;5(4):323-33.
9	Increased circulating levels of vitamin D binding protein in MS patients. Toxins (Basel). 2015 Jan 13;7(1):129-37. doi: 10.3390/toxins7010129.
10	Vitamin D protects against particles-caused lung injury through induction of autophagy in an Nrf2-dependent manner. Environ Toxicol. 2019 May;34(5):594-609.
11	Vitamin D ameliorates diethylnitrosamine-induced liver preneoplasia: A pivotal role of CYP3A4/CYP2E1 via DPP-4 enzyme inhibition. Toxicol Appl Pharmacol. 2023 Jan 1;458:116324. doi: 10.1016/j.taap.2022.116324. Epub 2022 Nov 25.
12	Product Information. Hectorol (doxercalciferol). Genzyme Corporation, Cambridge, MA.
13	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]
14	Product Information. Xenical (orlistat). Roche Laboratories, Nutley, NJ.