Pefcalcitol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Pefcalcitol
- DrugBank Accession Number
- DB11786
- Background
Pefcalcitol has been investigated for the basic science of Psoriasis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 519.553
Monoisotopic: 519.240799394 - Chemical Formula
- C26H34F5NO4
- Synonyms
- Pefcalcitol
- External IDs
- M-518101
- M518101
Pharmacology
- Indication
Not Available
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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
- Not Available
Interactions
- Drug Interactions
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- 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 carboxylic acid amides / Secondary alcohols / Cyclic alcohols and derivatives / Dialkyl ethers / Organopnictogen compounds / Organonitrogen compounds / Organofluorides / Organic oxides / Hydrocarbon derivatives show 2 more
- Substituents
- Alcohol / Aliphatic homopolycyclic compound / Alkyl fluoride / Alkyl halide / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Cyclic alcohol / Dialkyl ether / Ether show 12 more
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KT5224XSHW
- CAS number
- 381212-03-9
- InChI Key
- SVCSMAZYWOQCBW-NVJMFHFGSA-N
- InChI
- InChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1
- IUPAC Name
- 2-[(1S)-1-[(3aS,7E,7aS)-7-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-3a-methyl-3a,4,5,6,7,7a-hexahydro-1H-inden-3-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide
- SMILES
- C[C@H](OCC(=O)NCC(F)(F)C(F)(F)F)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16122802
- PubChem Substance
- 347828136
- ChemSpider
- 17279714
- ChEMBL
- CHEMBL3989862
- ZINC
- ZINC000035308284
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Psoriasis 3 3 Completed Treatment Psoriasis Vulgaris (Plaque Psoriasis) 1 2 Completed Not Available Psoriasis Vulgaris (Plaque Psoriasis) 1 2 Completed Treatment Psoriasis Vulgaris (Plaque Psoriasis) 1 2 Withdrawn Treatment Psoriasis 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00253 mg/mL ALOGPS logP 4.84 ALOGPS logP 2.95 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 11.52 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 78.79 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 127.31 m3·mol-1 Chemaxon Polarizability 50.63 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 215.81519 predictedDeepCCS 1.0 (2019) [M+H]+ 217.64009 predictedDeepCCS 1.0 (2019) [M+Na]+ 223.24591 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:48 / Updated at February 21, 2021 18:53