Lanifibranor
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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
- Lanifibranor
- DrugBank Accession Number
- DB14801
- Background
Lanifibranor is under investigation in clinical trial NCT03008070 (Phase 2b Study in NASH to Assess IVA337).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 434.91
Monoisotopic: 434.016177 - Chemical Formula
- C19H15ClN2O4S2
- Synonyms
- Lanifibranor
- External IDs
- IVA337
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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 28Q8AG0PYL
- CAS number
- 927961-18-0
- InChI Key
- OQDQIFQRNZIEEJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)
- IUPAC Name
- 4-[1-(1,3-benzothiazole-6-sulfonyl)-5-chloro-1H-indol-2-yl]butanoic acid
- SMILES
- OC(=O)CCCC1=CC2=C(C=CC(Cl)=C2)N1S(=O)(=O)C1=CC2=C(C=C1)N=CS2
References
- General References
- Not Available
- External Links
- ChemSpider
- 58828074
- BindingDB
- 50244350
- ChEMBL
- CHEMBL4091374
- PDBe Ligand
- BJB
- PDB Entries
- 6enq / 8huk / 8hul / 8hum
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Recruiting Treatment Non Alcoholic Steatohepatitis (NASH) 1 2 Active Not Recruiting Treatment Non Alcoholic Steatohepatitis (NASH) / Type 2 Diabetes Mellitus 1 2 Completed Treatment Diffuse Cutaneous Systemic Sclerosis / Systemic Sclerosis, Diffuse 1 2 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Type 2 Diabetes Mellitus 1 2 Completed Treatment Non Alcoholic Steatohepatitis (NASH) 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 0.0128 mg/mL ALOGPS logP 3.61 ALOGPS logP 4.04 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 3.72 Chemaxon pKa (Strongest Basic) 1.64 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 89.26 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 106.58 m3·mol-1 Chemaxon Polarizability 43.04 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014r-0000900000-7b35e46dd238349f8f41 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-4000900000-77aee156043647a92dd9 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-0203900000-b7686af6c9bc4acda23d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001r-6209700000-4406c5428a9798d62a03 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0910100000-6bd53c4f8df6ecf91c8c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9610000000-a124c1891a7dd08497ec Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:27 / Updated at February 21, 2021 18:54