This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- ABX-464
- DrugBank Accession Number
- DB14828
- Background
ABX-464 is under investigation in clinical trial NCT03905109 (Safety Evaluation of ABX464 in Patients With Moderate to Severe Active Crohn's Disease).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for ABX-464 (DB14828)
- Weight
- Average: 338.71
Monoisotopic: 338.0433751 - Chemical Formula
- C16H10ClF3N2O
- Synonyms
- Not Available
- External IDs
- ABX464
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Quinolines and derivatives
- Sub Class
- Aminoquinolines and derivatives
- Direct Parent
- Aminoquinolines and derivatives
- Alternative Parents
- Chloroquinolines / Aniline and substituted anilines / Phenoxy compounds / Phenol ethers / Aminopyridines and derivatives / Aryl chlorides / Imidolactams / Heteroaromatic compounds / Trihalomethanes / Azacyclic compounds show 6 more
- Substituents
- Alkyl fluoride / Alkyl halide / Amine / Aminopyridine / Aminoquinoline / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 26RU378B9V
- CAS number
- 1258453-75-6
- InChI Key
- OZOGDCZJYVSUBR-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)
- IUPAC Name
- 8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
- SMILES
- FC(F)(F)OC1=CC=C(NC2=CC=C3C=CC=C(Cl)C3=N2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 34537418
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Not Yet Recruiting Treatment Ulcerative Colitis 2 3 Recruiting Treatment Ulcerative Colitis 1 2 Active Not Recruiting Treatment Ulcerative Colitis 2 2 Completed Treatment Human Immunodeficiency Virus (HIV) Infections 2 2 Completed Treatment Rheumatoid Arthritis 2 2 Completed Treatment Ulcerative Colitis 2 2 Recruiting Treatment Ulcerative Colitis 1 2 Unknown Status Treatment Crohn's Disease (CD) 1 2, 3 Terminated Treatment Coronavirus Disease 2019 (COVID‑19) 1 1 Completed Prevention Healthy Subjects (HS) 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 0.00159 mg/mL ALOGPS logP 5.72 ALOGPS logP 6.2 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 17.69 Chemaxon pKa (Strongest Basic) 3.78 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 34.15 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 76.65 m3·mol-1 Chemaxon Polarizability 29.81 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at May 20, 2019 14:29 / Updated at June 12, 2020 16:53