NAV

Cilofexor

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

Identification

Generic Name
Cilofexor
DrugBank Accession Number
DB15168
Background

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
3D
Similar Structures
Weight
Average: 586.85
Monoisotopic: 585.0625039
Chemical Formula
C28H22Cl3N3O5
Synonyms
  • 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
  • Cilofexor
External IDs
  • GS 9674
  • GS-9674
  • GS9674
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
Cilofexor tromethamineZ7AR0KNS4A2253764-93-9Not applicable

Categories

Drug Categories
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
Affected organisms
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
BindingDB
50511109
ChEMBL
CHEMBL4297613
PDBe Ligand
811
Wikipedia
Cilofexor
PDB Entries
7vue

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentPrimary Sclerosing Cholangitis (PSC)1
2Active Not RecruitingTreatmentNon Alcoholic Steatohepatitis (NASH)1
2CompletedTreatmentFatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Non Alcoholic Steatohepatitis (NASH)1
2CompletedTreatmentNon Alcoholic Steatohepatitis (NASH)3
2CompletedTreatmentPrimary 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-0000090000-4e5465941854b0c52852
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-2000090000-eac4ea5c0b2b9ec5dad8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0100090000-d3e5e059dcb54da1dff6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-8100090000-922d2d3a1e17a36dd5cd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00c0-0000190000-e2f56bc0828e73395eaf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-9504740000-f43f3478beabd3e7d4eb
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:55 / Updated at September 28, 2023 05:48