Cilofexor

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

Identification

Name
Cilofexor
Accession Number
DB15168
Description

Cilofexor is under investigation in clinical trial NCT02943447 (Safety, Tolerability, and Efficacy of Cilofexor in Adults With Primary Biliary Cholangitis Without Cirrhosis).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 586.85
Monoisotopic: 585.0625039
Chemical Formula
C28H22Cl3N3O5
Synonyms
Not Available
External IDs
  • GS-9674

Pharmacology

Indication
Not Available
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
Affected organisms
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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azetidines
Sub Class
Phenylazetidines
Direct Parent
Phenylazetidines
Alternative Parents
Pyridinecarboxylic acids / Phenoxy compounds / Phenol ethers / 5-cyclopropylisoxazoles / Dichlorobenzenes / Dialkylarylamines / Alkyl aryl ethers / Aminopyridines and derivatives / Imidolactams / Aryl chlorides
show 8 more
Substituents
1,3-dichlorobenzene / 3-phenylazetidine / 5-cyclopropylisoxazole / Alcohol / Alkyl aryl ether / Amine / Aminopyridine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide
show 29 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
YUN2306954
CAS number
1418274-28-8
InChI Key
KZSKGLFYQAYZCO-UHFFFAOYSA-N
InChI
InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)
IUPAC Name
2-[3-(2-chloro-4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}phenyl)-3-hydroxyazetidin-1-yl]pyridine-4-carboxylic acid
SMILES
OC(=O)C1=CC=NC(=C1)N1CC(O)(C1)C1=C(Cl)C=C(OCC2=C(ON=C2C2=C(Cl)C=CC=C2Cl)C2CC2)C=C1

References

General References
Not Available
ChemSpider
68007315

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentPrimary Sclerosing Cholangitis (PSC)1
2CompletedTreatmentNonalcoholic Steatohepatitis2
2CompletedTreatmentNonalcoholic Steatohepatitis (NASH)1
2CompletedTreatmentPrimary Biliary Cholangitis1
2CompletedTreatmentPrimary Sclerosing Cholangitis (PSC)1
2RecruitingTreatmentNonalcoholic Fatty Liver Disease (NAFLD) / Nonalcoholic Steatohepatitis (NASH)1
1CompletedTreatmentNonalcoholic Steatohepatitis (NASH)2
1RecruitingTreatmentCompensated liver disease / Primary Sclerosing Cholangitis (PSC)1

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 Solubility0.0295 mg/mLALOGPS
logP5.36ALOGPS
logP4.65ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)0.45ChemAxon
pKa (Strongest Basic)8.14ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area108.92 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity148.43 m3·mol-1ChemAxon
Polarizability56.81 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
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

Drug created on May 20, 2019 08:55 / Updated on June 12, 2020 10:53

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