Arzoxifene
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Arzoxifene
- Accession Number
- DB06249
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
Structure for Arzoxifene (DB06249)
- Weight
- Average: 475.6
Monoisotopic: 475.181729592 - Chemical Formula
- C28H29NO4S
- Synonyms
- Arzoxifene
- External IDs
- LY353381
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
Investigated for use/treatment in breast cancer, osteoporosis, and endometrial cancer.
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Arzoxifene is a selective estrogen receptor modulator (SERM) which antagonizes estrogen in mammary and uterine tissue, but acts as an estrogen receptor agonist in bone tissue. Arzoxifene reduces bone loss and risk of osteoperosis and decreases serum cholesterol.
Target Actions Organism UEstrogen receptor alpha Not Available Humans UEstrogen receptor beta Not Available Humans - 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- 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
Products
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Ingredient UNII CAS InChI Key Arzoxifene Hydrochloride FU88PI0433 182133-27-3 NHSNLUIMAQQXGR-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Ethers
- Direct Parent
- Diarylethers
- Alternative Parents
- 1-benzothiophenes / Phenoxy compounds / Methoxybenzenes / Anisoles / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Piperidines / Thiophenes / Heteroaromatic compounds / Trialkylamines show 3 more
- Substituents
- 1-benzothiophene / 1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether / Amine / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzothiophene / Diaryl ether show 14 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Chemical Identifiers
- UNII
- E569WG6E60
- CAS number
- 182133-25-1
- InChI Key
- MCGDSOGUHLTADD-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3
- IUPAC Name
- 2-(4-methoxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1-benzothiophen-6-ol
- SMILES
- COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
References
- General References
- Suh N, Glasebrook AL, Palkowitz AD, Bryant HU, Burris LL, Starling JJ, Pearce HL, Williams C, Peer C, Wang Y, Sporn MB: Arzoxifene, a new selective estrogen receptor modulator for chemoprevention of experimental breast cancer. Cancer Res. 2001 Dec 1;61(23):8412-5. [PubMed:11731420]
- External Links
- ChemSpider
- 156104
- BindingDB
- 19442
- ChEMBL
- CHEMBL226267
- ZINC
- ZINC000001544683
- Wikipedia
- Arzoxifene
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Breast Cancer / Endometrial Cancer / Ovarian Cancer 1 3 Completed Prevention Postmenopausal Bone Loss 1 3 Completed Treatment Neoplasms, Breast 1 3 Completed Treatment Postmenopausal Osteoporosis 2 2 Completed Prevention Breast Cancer 1 2 Completed Prevention Breast Cancer / Hereditary Breast/Ovarian Cancer (brca1, brca2) 1 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Endometrial Cancer 1 2 Completed Treatment Osteoporosis 1 2 Completed Treatment Ovarian Cancer / Primary Peritoneal Cavity Cancer 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000496 mg/mL ALOGPS logP 6.3 ALOGPS logP 5.89 ChemAxon logS -6 ALOGPS pKa (Strongest Acidic) 9.47 ChemAxon pKa (Strongest Basic) 8.68 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 51.16 Å2 ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 135.63 m3·mol-1 ChemAxon Polarizability 52.44 Å3 ChemAxon Number of Rings 5 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissu...
- Gene Name
- ESR1
- Uniprot ID
- P03372
- Uniprot Name
- Estrogen receptor
- Molecular Weight
- 66215.45 Da
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent m...
- Gene Name
- ESR2
- Uniprot ID
- Q92731
- Uniprot Name
- Estrogen receptor beta
- Molecular Weight
- 59215.765 Da
Drug created on March 19, 2008 16:19 / Updated on February 21, 2021 18:52