Evocalcet

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

Identification

Name
Evocalcet
Accession Number
DB12388
Type
Small Molecule
Groups
Investigational
Description

Evocalcet has been used in trials studying the treatment of Hyperparathyroidism and Secondary Hyperparathyroidism.

Structure
Thumb
Synonyms
Not Available
External IDs
KHK-7580 / KHK7580 / MT-4580
Categories
Not Available
UNII
E58MLH082P
CAS number
870964-67-3
Weight
Average: 374.484
Monoisotopic: 374.199428085
Chemical Formula
C24H26N2O2
InChI Key
RZNUIYPHQFXBAN-XLIONFOSSA-N
InChI
InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
IUPAC Name
2-{4-[(3S)-3-{[(1R)-1-(naphthalen-1-yl)ethyl]amino}pyrrolidin-1-yl]phenyl}acetic acid
SMILES
C[C@@H](N[C@H]1CCN(C1)C1=CC=C(CC(O)=O)C=C1)C1=C2C=CC=CC2=CC=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
71242808
PubChem Substance
347828635
ChemSpider
44208828
Wikipedia
Evocalcet

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHyperparathyroidism, Secondary1
1, 2CompletedTreatmentHyperparathyroidism1
2CompletedTreatmentHyperparathyroidism, Secondary1
2, 3CompletedTreatmentHyperparathyroidism, Secondary1
3Active Not RecruitingTreatmentParathyroid Carcinoma / Primary Hyperparathyroidism1
3CompletedTreatmentHyperparathyroidism, Secondary2

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
PropertyValueSource
Water Solubility0.00224 mg/mLALOGPS
logP3.49ALOGPS
logP1.96ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)4.23ChemAxon
pKa (Strongest Basic)9.48ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area52.57 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity112.57 m3·mol-1ChemAxon
Polarizability42.62 Å3ChemAxon
Number of Rings4ChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolidines
Sub Class
Phenylpyrrolidines
Direct Parent
Phenylpyrrolidines
Alternative Parents
Naphthalenes / Dialkylarylamines / Aniline and substituted anilines / Aralkylamines / Pyrroles / Amino acids / Monocarboxylic acids and derivatives / Dialkylamines / Carboxylic acids / Azacyclic compounds
show 3 more
Substituents
1-phenylpyrrolidine / Naphthalene / Tertiary aliphatic/aromatic amine / Aniline or substituted anilines / Dialkylarylamine / Aralkylamine / Monocyclic benzene moiety / Benzenoid / Pyrrole / Tertiary amine
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:10 / Updated on November 02, 2018 07:24