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]
⏷ Show the Full List of Indication(s)
Therapeutic Class
Vitamins
Affected Organisms
Humans and other mammals
ATC Code
A11CC05: Cholecalciferol
A11CC: Vitamin D and analogues
A11C: VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
A11: VITAMINS
A: ALIMENTARY TRACT AND METABOLISM
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) 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 [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
CHEMBL1042
CAS Number
67-97-0
UNII
1C6V77QF41
DrugBank ID
DB00169
TTD ID
D0K5WS
ACDINA ID
D00128
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]

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]
Adhesion G-protein coupled receptor G1 (ADGRG1) OTQBB8NT AGRG1_HUMAN Gene/Protein Processing [7]
Albumin (ALB) OTVMM513 ALBU_HUMAN Protein Interaction/Cellular Processes [8]
Aldo-keto reductase family 1 member C1 (AKR1C1) OTQKR4CM AK1C1_HUMAN Gene/Protein Processing [9]
Ankyrin repeat domain-containing protein 22 (ANKRD22) OT6CRQ67 ANR22_HUMAN Gene/Protein Processing [7]
ATP-binding cassette sub-family C member 4 (ABCC4) OTO27PAL MRP4_HUMAN Gene/Protein Processing [10]
Bcl-2-like protein 1 (BCL2L1) OTRC5K9O B2CL1_HUMAN Gene/Protein Processing [11]
Bcl2-associated agonist of cell death (BAD) OT63ERYM BAD_HUMAN Post-Translational Modifications [11]
Cleavage stimulation factor subunit 2 tau variant (CSTF2T) OT3IKRL2 CSTFT_HUMAN Gene/Protein Processing [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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] [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]
⏷ Show the Full List of 19 DDI Information of This Drug

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
⏷ 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
Jump to Detail Pharmaceutical Formulation Page of This Drug

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 Increased circulating levels of vitamin D binding protein in MS patients. Toxins (Basel). 2015 Jan 13;7(1):129-37. doi: 10.3390/toxins7010129.
9 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.
10 Hematopoietic stem cell differentiation affects expression and function of MRP4 (ABCC4), a transport protein for signaling molecules and drugs. Int J Cancer. 2009 May 15;124(10):2303-11. doi: 10.1002/ijc.24207.
11 Vitamin D3 induces autophagy of human myeloid leukemia cells. J Biol Chem. 2008 Sep 12;283(37):25596-25605. doi: 10.1074/jbc.M801716200. Epub 2008 Jul 15.
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.