Cilofexor
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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
- 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
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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 regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Cilofexor tromethamine Z7AR0KNS4A 2253764-93-9 Not 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
- External Links
- ChemSpider
- 68007315
- BindingDB
- 50511109
- ChEMBL
- CHEMBL4297613
- PDBe Ligand
- 811
- Wikipedia
- Cilofexor
- PDB Entries
- 7vue
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Primary Sclerosing Cholangitis (PSC) 1 2 Active Not Recruiting Treatment Non-Alcoholic Steatohepatitis (NASH) 1 2 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Non-Alcoholic Steatohepatitis (NASH) 1 2 Completed Treatment Non-Alcoholic Steatohepatitis (NASH) 3 2 Completed Treatment 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
Property Value Source Water Solubility 0.0295 mg/mL ALOGPS logP 5.36 ALOGPS logP 4.65 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 0.45 Chemaxon pKa (Strongest Basic) 8.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 108.92 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 148.43 m3·mol-1 Chemaxon Polarizability 56.81 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:55 / Updated at September 28, 2023 05:48