NAV

Encaleret

Identification

Generic Name
Encaleret
DrugBank Accession Number
DB18096
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 514.03
Monoisotopic: 513.2082144
Chemical Formula
C29H33ClFNO4
Synonyms
  • (1,1'-biphenyl)-4-carboxylic acid, 2'-((1r)-1-((2r)-3-((2-(4-chloro-3-fluorophenyl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)ethyl)-3-methyl-
  • 2'-((1r)-1-(((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-(2r)-2-hydroxypropoxy)ethyl)-3-methyl(1,1'-biphenyl)-4-carboxylic acid
  • 2'-((1r)-1-(((2r)-3-((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-2-hydroxypropyl)oxy)ethyl)-3-methyl-1,1'-biphenyl-4-carboxylic acid
  • 2'-((1r)-1-((2r)-3-((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)ethyl)-3-methyl(1,1'-biphenyl)-4-carboxylic acid
  • Encaleret
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

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
Encaleret sulfate7CKZ1Y8K701214922-52-7NOJBHZIZNPMQRT-CBASKZFISA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
EF8081AQ6G
CAS number
787583-71-5
InChI Key
UNFHDRVFEQPUEL-DENIHFKCSA-N
InChI
InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
IUPAC Name
2'-[(1R)-1-[(2R)-3-{[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino}-2-hydroxypropoxy]ethyl]-3-methyl-[1,1'-biphenyl]-4-carboxylic acid
SMILES
C[C@@H](OC[C@H](O)CNC(C)(C)CC1=CC=C(Cl)C(F)=C1)C1=CC=CC=C1C1=CC=C(C(O)=O)C(C)=C1

References

General References
Not Available
ChemSpider
25950417
BindingDB
50337103
ChEMBL
CHEMBL1672973
ZINC
ZINC000066097848

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentAutosomal Dominant Hypocalcemia (ADH)1
2CompletedTreatmentAutosomal Dominant Hypocalcemia (ADH)1
2CompletedTreatmentOsteoporosis / Postmenopausal Osteoporosis1
2RecruitingBasic SciencePost-Surgical Hypoparathyroidism1
2TerminatedTreatmentOsteoporosis1

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
logP4.07Chemaxon
pKa (Strongest Acidic)3.94Chemaxon
pKa (Strongest Basic)9.61Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area78.79 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity141.61 m3·mol-1Chemaxon
Polarizability55.26 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 11, 2023 21:26 / Updated at September 28, 2023 05:48