NAV

NPS-2143

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
NPS-2143
DrugBank Accession Number
DB05695
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 408.93
Monoisotopic: 408.1604558
Chemical Formula
C24H25ClN2O2
Synonyms
Not Available
External IDs
  • (+)-NPS-2143
  • SB-262470
  • SB-262470A
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Pharmacology

Indication

Investigated for use/treatment in osteoporosis.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

NPS-2143 is the prototype calcilytic drug, designed to act on calcium receptors on the surface of parathyroid glands, stimulating the release of the body's own stores of native parathyroid hormone (PTH).

TargetActionsOrganism
UExtracellular calcium-sensing receptorNot AvailableHumans
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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Phenoxy compounds / Phenol ethers / Benzonitriles / Chlorobenzenes / Aralkylamines / Alkyl aryl ethers / Aryl chlorides / Secondary alcohols / 1,2-aminoalcohols / Nitriles
show 4 more
Substituents
1,2-aminoalcohol / Alcohol / Alkyl aryl ether / Amine / Aralkylamine / Aromatic homopolycyclic compound / Aryl chloride / Aryl halide / Benzonitrile / Carbonitrile
show 19 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Z25PJ77W7V
CAS number
284035-33-2
InChI Key
PZUJQWHTIRWCID-HXUWFJFHSA-N
InChI
InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
IUPAC Name
2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
SMILES
CC(C)(CC1=CC=C2C=CC=CC2=C1)NC[C@@H](O)COC1=CC=CC(Cl)=C1C#N

References

General References
Not Available
ChemSpider
5293643
BindingDB
50161093
ChEMBL
CHEMBL180672
ZINC
ZINC000003975668
Wikipedia
NPS-2143

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.00116 mg/mLALOGPS
logP4.85ALOGPS
logP4.98Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)9.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area65.28 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity116.61 m3·mol-1Chemaxon
Polarizability45.08 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0uk9-3941000000-4dc8a8995113814c5b7d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0381900000-e6498a752e8d7b1f8de8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f8i-9440200000-20da6ad41dd4867d8443
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9200000000-90a5e13290eb300d53ca
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0540-2891100000-ee9f6b5b0158536cf06e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-8903000000-a906f83d8cd7d3d9962e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0900000000-b8778f349be9b5653010
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-188.38866
predicted
DeepCCS 1.0 (2019)
[M+H]+190.74664
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.56743
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Extracellular calcium-sensing receptor
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
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. Bu L, Michino M, Wolf RM, Brooks CL 3rd: Improved model building and assessment of the Calcium-sensing receptor transmembrane domain. Proteins. 2008 Apr;71(1):215-26. [Article]

Drug created at November 18, 2007 18:27 / Updated at June 12, 2020 16:52