Ralinepag

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

Identification

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Name
Ralinepag
Accession Number
DB12462
Type
Small Molecule
Groups
Investigational
Description

Ralinepag has been used in trials studying the treatment of Pulmonary Arterial Hypertension.

Structure
Thumb
Synonyms
Not Available
External IDs
APD-811
Categories
UNII
CQY12ZJN6E
CAS number
1187856-49-0
Weight
Average: 431.91
Monoisotopic: 431.1499506
Chemical Formula
C23H26ClNO5
InChI Key
NPDKXVKJRHPDQT-IYARVYRRSA-N
InChI
InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-
IUPAC Name
2-{[(1r,4r)-4-({[(4-chlorophenyl)(phenyl)carbamoyl]oxy}methyl)cyclohexyl]methoxy}acetic acid
SMILES
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1

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
44219292
PubChem Substance
347828701
ChemSpider
32056949
ChEMBL
CHEMBL3301604

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentPulmonary Arterial Hypertension (PAH)1
2CompletedTreatmentPulmonary Arterial Hypertension (PAH)1
3Enrolling by InvitationTreatmentCardiovascular Disease (CVD) / Chronic Lung Diseases / Connective Tissue Diseases / Familial Primary Pulmonary Hypertension / High Blood Pressure (Hypertension) / PAH / Pulmonary Arterial Hypertension (PAH) / Pulmonary Hypertension (PH) / Respiratory Tract Diseases / Vascular Diseases1
3RecruitingTreatmentCardiovascular Disease (CVD) / Chronic Lung Diseases / Connective Tissue Diseases / Familial Primary Pulmonary Hypertension / High Blood Pressure (Hypertension) / PAH / Pulmonary Arterial Hypertension (PAH) / Pulmonary Hypertension (PH) / Respiratory Tract Diseases / Vascular Diseases1

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 Solubility0.00165 mg/mLALOGPS
logP4.74ALOGPS
logP5.12ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)4.1ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area76.07 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity113.22 m3·mol-1ChemAxon
Polarizability45.24 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
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 phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylcarbamic acid esters
Direct Parent
Phenylcarbamic acid esters
Alternative Parents
Chlorobenzenes / Aryl chlorides / Carbamate esters / Monocarboxylic acids and derivatives / Dialkyl ethers / Carboxylic acids / Organonitrogen compounds / Organochlorides / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Phenylcarbamic acid ester / Chlorobenzene / Halobenzene / Aryl chloride / Aryl halide / Carbamic acid ester / Carboxylic acid derivative / Carboxylic acid / Dialkyl ether / Ether
show 11 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:29 / Updated on June 04, 2019 07:38