Ronacaleret
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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
- Ronacaleret
- DrugBank Accession Number
- DB05255
- Background
Ronacaleret is a calcium-sensing receptor antagonist.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 447.523
Monoisotopic: 447.222114808 - Chemical Formula
- C25H31F2NO4
- Synonyms
- Ronacaleret
Pharmacology
- Indication
Post-menopausal women with osteoporosis
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- Pharmacodynamics
Not Available
- Mechanism of action
751689 is novel small molecules that work by antagonizing calcium-sensing receptors on the surface of the parathyroid gland, thereby triggering a transient release of the body's own stores of parathyroid hormone (PTH). This release of PTH may have the potential to rebuild the bone mass lost as a result of osteoporosis and improve overall bone microarchitecture in these patients.
Target Actions Organism UExtracellular calcium-sensing receptor antagonistHumans - 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.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
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.
- Product Ingredients
Ingredient UNII CAS InChI Key Ronacaleret hydrochloride LZM2DSH251 702686-96-2 BQGSCEAKPBWIDI-VEIFNGETSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Phenylpropanoic acids
- Sub Class
- Not Available
- Direct Parent
- Phenylpropanoic acids
- Alternative Parents
- Indanes / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Aralkylamines / Fluorobenzenes / Aryl fluorides / 1,2-aminoalcohols / Amino acids / Secondary alcohols show 7 more
- Substituents
- 1,2-aminoalcohol / 3-phenylpropanoic-acid / Alcohol / Alkyl aryl ether / Amine / Amino acid / Amino acid or derivatives / Aralkylamine / Aromatic homopolycyclic compound / Aryl fluoride show 24 more
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Humans and other mammals
Chemical Identifiers
- UNII
- DIH95YP7J3
- CAS number
- 753449-67-1
- InChI Key
- FQJISUPNMFRIFZ-HXUWFJFHSA-N
- InChI
- InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1
- IUPAC Name
- 3-{3-[(2R)-3-{[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino}-2-hydroxypropoxy]-4,5-difluorophenyl}propanoic acid
- SMILES
- CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10345214
- PubChem Substance
- 347827720
- ChemSpider
- 8520672
- BindingDB
- 50346036
- ChEMBL
- CHEMBL1198855
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Osteoporosis 1 1 Completed Not Available Osteoporosis 1 1 Completed Supportive Care Bone Marrow Transplant (BMT) 1 1 Completed Treatment Stem Cell Transplantation 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 0.00145 mg/mL ALOGPS logP 2.37 ALOGPS logP 2.21 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 3.23 Chemaxon pKa (Strongest Basic) 9.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 78.79 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 118.36 m3·mol-1 Chemaxon Polarizability 47.78 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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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1. DetailsExtracellular calcium-sensing receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Antagonist
- General Function
- Phosphatidylinositol phospholipase c activity
- Specific Function
- Senses changes in the extracellular concentration of calcium ions. The activity of this receptor is mediated by a G-protein that activates a phosphatidylinositol-calcium second messenger system.
- Gene Name
- CASR
- Uniprot ID
- P41180
- Uniprot Name
- Extracellular calcium-sensing receptor
- Molecular Weight
- 120672.385 Da
References
- Fitzpatrick LA, Dabrowski CE, Cicconetti G, Gordon DN, Papapoulos S, Bone HG 3rd, Bilezikian JP: The effects of ronacaleret, a calcium-sensing receptor antagonist, on bone mineral density and biochemical markers of bone turnover in postmenopausal women with low bone mineral density. J Clin Endocrinol Metab. 2011 Aug;96(8):2441-9. doi: 10.1210/jc.2010-2855. Epub 2011 May 18. [Article]
Drug created at November 18, 2007 18:09 / Updated at September 25, 2021 23:52