NAV

Ronacaleret

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
3D
Similar Structures
Weight
Average: 447.523
Monoisotopic: 447.222114808
Chemical Formula
C25H31F2NO4
Synonyms
  • Ronacaleret

Pharmacology

Indication

Post-menopausal women with osteoporosis

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Contraindications & Blackbox Warnings
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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.

TargetActionsOrganism
UExtracellular calcium-sensing receptor
antagonist
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
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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

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Product Ingredients
IngredientUNIICASInChI Key
Ronacaleret hydrochlorideLZM2DSH251702686-96-2BQGSCEAKPBWIDI-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
PubChem Compound
10345214
PubChem Substance
347827720
ChemSpider
8520672
BindingDB
50346036
ChEMBL
CHEMBL1198855

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentOsteoporosis1
1CompletedNot AvailableOsteoporosis1
1CompletedSupportive CareBone Marrow Transplant (BMT)1
1CompletedTreatmentStem Cell Transplantation1

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
PropertyValueSource
Water Solubility0.00145 mg/mLALOGPS
logP2.37ALOGPS
logP2.21Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)3.23Chemaxon
pKa (Strongest Basic)9.96Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area78.79 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity118.36 m3·mol-1Chemaxon
Polarizability47.78 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Targets

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Details1. Extracellular 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
  1. 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