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Atlas / Drug / Cholecalciferol

Cholecalciferol

drug
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Also known as activatedAccrete d3Aciferol d3Adcal-d3Biolife vitamin d3Cacit d3CalceosCalci-dCalcichew d3Calcichew d3 fteCalcichew d3 once dailyColecal d3ColecalciferolColecalciferolumColekal-d3Cubicole d3D-maxD3 lemon meltsDekristol

Summary

Cholecalciferol (CHEMBL1042) is an approved small-molecule geroprotector (ATC A11CC05); indicated across 102 conditions including osteoporosis and anemia.

At a glance

  • Status: Approved (max clinical phase 4)
  • Modality: Small molecule
  • ATC class: A11CC05
  • Indications: 102 conditions
  • Clinical trials: 1,192
  • Chemistry: 384.6 Da · C27H44O

Identifiers

Drug identity and classification

FieldValue
ChEMBL IDCHEMBL1042
NameCholecalciferol
TypeSmall molecule
Max phase4
FDA approvedyes
PubChem CID5280795
ChEBICHEBI:28940
ATCA11CC05
Molecular formulaC27H44O
Molecular weight384.6
InChIKeyQYSXJUFSXHHAJI-YRZJJWOYSA-N

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

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

ChEBI definition: A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.

Pharmacological roles (ChEBI): geroprotector.

Other ChEBI roles (chemical / environmental): human metabolite.

Also known as: activated, Accrete d3, Aciferol d3, Adcal-d3, Biolife vitamin d3, Cacit d3, Calceos, Calci-d, Calcichew d3, Calcichew d3 fte, Calcichew d3 once daily, Cholecalciferol

Patent coverage: 23,764 distinct patent families (64,162 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

GeneTargetActionpAffinityCancer dependencyUniProt
Farnesoid X receptor-βAgonist5

Broader ChEMBL bioactivity targets: 19 (assay-derived). Sample: Microtubule-associated protein tau, Nuclear receptor ROR-gamma, Survival motor neuron protein, Ferritin light chain, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], Vitamin D3 receptor, Thromboxane A2 receptor, Progesterone receptor, Prostaglandin G/H synthase 1, D(3) dopamine receptor.

Bioactivity

ChEMBL activities: 5 potent at pChembl ≥ 5 of 29 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

TargetpChemblTypeValueUnitActivity ID
VDR9.68EC500.21nMCHEMBL_ACT_15068931
VDR7.06IC5087nMCHEMBL_ACT_24958686
GLRA16.4EC50400nMCHEMBL_ACT_15241384
P482816.05EC50900nMCHEMBL_ACT_19167916
P514505.35Potency4467nMCHEMBL_ACT_4774122

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

102 indications (3 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

IndicationTrial phaseMONDOEFO
osteoporosis4MONDO:0005298EFO:0003882
anemia4MONDO:0002280EFO:0004272
iron deficiency anemia4MONDO:0001356HP:0001891
heart failure3MONDO:0005252EFO:0003144
hepatitis C virus infection3MONDO:0005231EFO:0003047
chronic kidney disease3MONDO:0005300EFO:0003884
HIV infectious disease3MONDO:0005109EFO:0000764
relapsing-remitting multiple sclerosis3MONDO:0005314EFO:0003929
vitamin D deficiency3MONDO:0100471EFO:0003762
Crohn disease3MONDO:0005011EFO:0000384
colorectal adenoma3MONDO:0005484EFO:0005406
B-cell chronic lymphocytic leukemia3MONDO:0004948EFO:0000095
obesity disorder3MONDO:0011122EFO:0001073
prostate adenocarcinoma3MONDO:0005082EFO:0000673
metabolic dysfunction-associated steatotic liver disease3MONDO:0013209EFO:0003095
postmenopausal osteoporosis3MONDO:0008159EFO:0003854
melanoma3MONDO:0005105EFO:0000756
cardiovascular disorder3MONDO:0004995EFO:0000319
bone fracture3MONDO:0005315EFO:0003931
polycystic ovary syndrome3MONDO:0008487EFO:0000660
ulcerative colitis3MONDO:0005101EFO:0000729
juvenile idiopathic arthritis3MONDO:0011429EFO:0002609
hip fracture3MONDO:0005327EFO:0003964
gestational diabetes3MONDO:0005406EFO:0004593
urticaria3MONDO:0005492EFO:0005531
pulmonary tuberculosis3MONDO:0006052EFO:1000049
colorectal adenocarcinoma3MONDO:0005008EFO:0000365
epilepsy3MONDO:0005027EFO:0000474
influenza3MONDO:0005812EFO:0007328
Helicobacter pylori infectious disease3MONDO:0006781EFO:1000961
hypogonadism3MONDO:0002146MONDO:0002146
breast neoplasm3MONDO:0021100MONDO:0007254
severe acute respiratory syndrome3MONDO:0005091EFO:0000694
hyperparathyroidism3MONDO:0001741EFO:0008506
inflammatory bowel disease3MONDO:0005265EFO:0003767
asthma3MONDO:0004979MONDO:0004979
type 1 diabetes mellitus3MONDO:0005147MONDO:0005147
type 2 diabetes mellitus3MONDO:0005148MONDO:0005148
tuberculosis3MONDO:0018076MONDO:0018076
diffuse large B-cell lymphoma3MONDO:0018905EFO:0000403
systemic lupus erythematosus3MONDO:0007915MONDO:0007915
breast carcinoma3MONDO:0004989EFO:0000305
prostate carcinoma3MONDO:0005159EFO:0001663
colorectal neoplasm3MONDO:0005335MONDO:0005575
glucose intolerance2MONDO:0001076EFO:0002546
diabetes mellitus2MONDO:0005015EFO:0000400
chronic obstructive pulmonary disease2MONDO:0005002EFO:0000341
AIDS2MONDO:0012268EFO:0000765
metabolic syndrome X2MONDO:0011565EFO:0000195
atopic conjunctivitis2MONDO:0005642EFO:0007141
atopic eczema2MONDO:0004980EFO:0000274
autism2MONDO:0005260EFO:0003758
hereditary breast ovarian cancer syndrome2MONDO:0003582Orphanet:145
optic neuritis2MONDO:0005885EFO:0007405
acute myeloid leukemia2MONDO:0018874EFO:0000222
psoriasis2MONDO:0005083EFO:0000676
male infertility2MONDO:0005372EFO:0004248
schizoaffective disorder2MONDO:0005487EFO:0005411
staphylococcus aureus infection2MONDO:0005545EFO:0005681
prediabetes syndrome2MONDO:0006920EFO:1001121
respiratory failure2MONDO:0021113EFO:0009686
bronchiolitis2MONDO:0002465HP:0011950
actinic keratosis2MONDO:0005173EFO:0002496
common cold2MONDO:0005709EFO:0007214
rectal cancer2MONDO:0006519EFO:1000657
ovarian cancer2MONDO:0008170MONDO:0008170
colonic neoplasm2MONDO:0005401MONDO:0021063
hematopoietic and lymphoid system neoplasm2MONDO:0002334MONDO:0044881
depressive disorder2MONDO:0002050MONDO:0002050
urinary tract infection2MONDO:0100338EFO:0003103
Parkinson disease2MONDO:0005180MONDO:0005180
allergic disease2MONDO:0005271MONDO:0005271
multiple sclerosis2MONDO:0005301MONDO:0005301
neurofibromatosis type 12MONDO:0018975MONDO:0018975
neoplasm2MONDO:0005070MONDO:0004992
tibia fracture1MONDO:0005320EFO:0003944
pneumonia1MONDO:0005249EFO:0003106
irritable bowel syndrome1MONDO:0005052EFO:0000555
glioblastoma1MONDO:0018177EFO:0000519
adrenoleukodystrophy1MONDO:0018544Orphanet:43
burn1MONDO:0043519EFO:0009516
ductal breast carcinoma in situ1MONDO:0005023EFO:0000432
skin neoplasm1MONDO:0002531MONDO:0002898
in situ carcinoma1MONDO:0004647MONDO:0004647
sickle cell disease1MONDO:0011382MONDO:0011382
hyperlipidemia1MONDO:0021187MONDO:0021187
skin disorder1MONDO:0005093EFO:0000701
Barrett esophagus0MONDO:0013662EFO:0000280
gingivitis0MONDO:0002508MONDO:0002508

13 further indication records had no mapped disease name (EFO/MeSH-only) or were duplicates, and are omitted.

Clinical trials

Total trials: 1,192.

Phase distribution

PhaseTrials
Not specified515
PHASE4189
PHASE2180
PHASE3157
PHASE163
PHASE2/PHASE338
EARLY_PHASE128
PHASE1/PHASE222

Top trials by phase / activity

NCTPhaseStatusTitle
NCT02112734PHASE4ACTIVE_NOT_RECRUITINGCan Vitamin D Supplementation in the First Year of Life Prevent Food Allergy in Infants? The VITALITY Trial: Parts 1&2
NCT02779465PHASE4NOT_YET_RECRUITINGOral Vitamin D Treatment for the Prevention of Hepatocellular Carcinoma
NCT03994172PHASE4ACTIVE_NOT_RECRUITINGNovel Combination Therapy for Osteoporosis in Men
NCT05058976PHASE4ACTIVE_NOT_RECRUITINGRomosozumab Use to Build Skeletal Integrity
NCT05860270PHASE4RECRUITINGOral Vitamin D Supplementation Prevent Peritoneal Dialysis-related Peritonitis
NCT06551337PHASE4RECRUITINGVitamin D Replacement in Bronchiectasis
NCT07006714PHASE4ACTIVE_NOT_RECRUITINGPreoperative Correction of Vitamin D Deficiency in Total Joint Arthroplasty (TJA)
NCT07288801PHASE4RECRUITINGVitamin D for Preventing Recurrent Preeclampsia in Pregnant Women
NCT00135304PHASE4COMPLETEDACHIEVE: Optimizing the Treatment of Secondary Hyperparathyroidism
NCT00160264PHASE4COMPLETEDStudy to Investigate if Adding Lactulose to Vitamin D and Calcium Has an Effect on the Preservation of Bone in Postmenopausal Women
NCT00271713PHASE4COMPLETEDImpact of Oral Ibandronate 150 mg Monthly on Structural Properties of Bone in Postmenopausal Osteoporosis (SPIMOS-3D)
NCT00288873PHASE4COMPLETEDCharacterization of Hyperparathyroidism and Vitamin D Deficiency in Obesity
NCT00303485PHASE4COMPLETEDA Study of Bone Turnover Markers in Post-Menopausal Women With Osteoporosis Treated With Monthly Boniva (Ibandronate)
NCT00497900PHASE4COMPLETEDThe Effect of Calcium and Vitamin D in Patients With Heart Failure
NCT00571285PHASE4TERMINATEDClinical Effects of Vitamin D Repletion in Patients With Parkinson’s Disease
NCT00581828PHASE4COMPLETEDDoes Treatment of Hypovitaminosis D Increase Calcium Absorption?
NCT00592917PHASE4COMPLETEDOSTPRE-Fracture Prevention Study
NCT00668200PHASE4COMPLETEDImpact on Reducing the Incidence of Low Serum Calcium by Providing Educational Materials on the Need to Take Daily Supplemental Calcium and Vitamin D to Patients With Paget’s Disease Treated With Reclast®
NCT00672763PHASE4WITHDRAWNAdjuvant Vitamin D With Corticosteroids in Active Crohn’s Disease
NCT00749736PHASE4COMPLETEDThe Role of Vitamin D in Immune Function in Patients With Chronic Kidney Disease (CKD) Stages 3 and 4.
NCT00785473PHASE4COMPLETEDCan Vitamin D Supplementation Prevent Bone Loss in Persons With Multiple Sclerosis
NCT00798993PHASE4COMPLETEDEffect of 25-hydroxyvitamin D and a Structured Exercise Program on Dialysis Patients
NCT00803712PHASE4COMPLETED20070360 Incident Dialysis
NCT00846677PHASE4COMPLETEDStudy Comparing Two Vitamin D Supplements for Infants: Liquid Versus D-Strips
NCT00869622PHASE4COMPLETEDAntiepileptic Drugs and Osteoporotic Prevention Trial
NCT00877123PHASE4COMPLETEDEffect of Vitamin D Supplementation on Fasting Glucose and Interleukin-10 (IL-10) in Arab Women With Impaired Fasting Glucose
NCT00879970PHASE4TERMINATEDThiazolidinedione Intervention With Vitamin D Evaluation
NCT00887354PHASE4COMPLETEDA Study That Will Compare the Effect of Two Drugs on Participants With Low Bone Mass and a Recent Hip Fracture
NCT00949832PHASE4COMPLETEDVitamin D and Genetics in Nutritional Rickets
NCT00974922PHASE4TERMINATEDVitamin D Deficiency in Patients With Hypertension
NCT01005095PHASE4TERMINATEDThe Effects of Interferon Beta Combined With Vitamin D on Relapsing Remitting Multiple Sclerosis Patients
NCT01016184PHASE4COMPLETEDInfluence of Vitamin D Treatment on Multi-systemic Functions in Young Men With Vitamin D Deficiency Due to Work Conditions
NCT01037140PHASE4COMPLETEDEffects of Vitamin D Supplementation in Obesity
NCT01052181PHASE4COMPLETEDA Trial to Study the Effect of Long Term Vitamin D Supplementation on Insulin Sensitivity
NCT01058720PHASE4COMPLETEDEfficacy of Daily Vitamin D3 Supplementation in Normal Weight Adolescents
NCT01101698PHASE4UNKNOWNVitamin K2 and Vessel Calcification in Chronic Kidney Disease Patients
NCT01103934PHASE4COMPLETEDVitamin D Plus Fluticasone Propionate
NCT01112891PHASE4COMPLETEDVitamin D in Pregnancy and Lactation
NCT01115842PHASE4UNKNOWNVitamin D and Inflammatory Cytokine Levels After Acute Myocardial Infraction (MI)
NCT01169142PHASE4COMPLETEDStudy of Vitamin D in the Severely Mentally Ill

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).

About this page

Generated deterministically by Sugi Atlas from primary biomedical databases via BioBTree. Every record on this page traces to a primary source.

Generated
Atlas version
v1.1.2
BioBTree
v2.0.2

Sources 18

This page pulls from 18 datasets indexed by BioBTree:

chebichembl_activitychembl_moleculechembl_targetcivic_evidenceclinical_trialsefogtopdbgtopdb_interactiongtopdb_ligandhgncmeshmondopatent_compoundpharmgkbpharmgkb_guidelinepubchemuniprot