Tacalcitol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Tacalcitol is a vitamin D analog indicated in the treatment of mild to moderate plaque psoriasis.
- Generic Name
- Tacalcitol
- DrugBank Accession Number
- DB13689
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
- Weight
- Average: 416.646
Monoisotopic: 416.329045277 - Chemical Formula
- C27H44O3
- Synonyms
- Tacalcitol
Pharmacology
- Indication
Not Available
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with evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Psoriasis vulgaris (plaque psoriasis) of the scalp •••••••••••• •••••••• Treatment of Mild, moderate psoriasis vulgaris (plaque psoriasis) •••••••••••• •••••••• - Contraindications & Blackbox Warnings
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareCalcium acetate The risk or severity of adverse effects can be increased when Tacalcitol is combined with Calcium acetate. Calcium carbonate The risk or severity of adverse effects can be increased when Tacalcitol is combined with Calcium carbonate. Calcium chloride The risk or severity of adverse effects can be increased when Tacalcitol is combined with Calcium chloride. Calcium citrate The risk or severity of adverse effects can be increased when Tacalcitol is combined with Calcium citrate. Calcium glubionate anhydrous The risk or severity of adverse effects can be increased when Tacalcitol is combined with Calcium glubionate anhydrous. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- D05AX04 — Tacalcitol
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Vitamin D and derivatives
- Direct Parent
- Vitamin D and derivatives
- Alternative Parents
- Triterpenoids / Secondary alcohols / Cyclic alcohols and derivatives / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic homopolycyclic compound / Cyclic alcohol / Hydrocarbon derivative / Organic oxygen compound / Organooxygen compound / Secondary alcohol / Triterpenoid
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- Vitamin D3 and derivatives (LMST03020256)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- C2W72OJ5ZU
- CAS number
- 57333-96-7
- InChI Key
- BJYLYJCXYAMOFT-RSFVBTMBSA-N
- InChI
- InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1
- IUPAC Name
- (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
- SMILES
- CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
References
- General References
- BASG Product Information: Curatoderm (tacalcitol) topical [Link]
- External Links
- ChemSpider
- 4446823
- BindingDB
- 50441892
- 291204
- ChEMBL
- CHEMBL2105611
- ZINC
- ZINC000004474668
- Wikipedia
- Tacalcitol
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 3 Completed Treatment Psoriasis Vulgaris (Plaque Psoriasis) 2
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Ointment Topical 4 μg/g Emulsion Topical Ointment Topical Emulsion Topical 4 MICROGRAMMI/G Emulsion Topical 4 mcg/g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0105 mg/mL ALOGPS logP 5.36 ALOGPS logP 4.51 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 14.39 Chemaxon pKa (Strongest Basic) -1.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 60.69 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 126.29 m3·mol-1 Chemaxon Polarizability 51.11 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001j-0219000000-86687961dfb0c9dc5972 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01q9-3429000000-0e20428b6dacaf0b3aad Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0000900000-7bddfbd471c9f867bf5c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00mp-3109200000-ef583b9fe050594c1fdb Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01b9-1795000000-70b204aec5287369eac9 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00bc-0309000000-262d3ecc58a289d4b64c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 207.20891 predictedDeepCCS 1.0 (2019) [M+H]+ 209.10062 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.70644 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at May 29, 2021 18:12