This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Pradigastat
- DrugBank Accession Number
- DB12866
- Background
Pradigastat has been used in trials studying the treatment of Non-alcoholic Fatty Liver Disease (NAFLD).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 455.481
Monoisotopic: 455.182061514 - Chemical Formula
- C25H24F3N3O2
- Synonyms
- Pradigastat
- External IDs
- LCQ-908NXA
- LCQ908-NXA
Pharmacology
- Indication
Not Available
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- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcamprosate The excretion of Acamprosate can be decreased when combined with Pradigastat. Acyclovir The excretion of Acyclovir can be decreased when combined with Pradigastat. Allopurinol The excretion of Allopurinol can be decreased when combined with Pradigastat. Alprostadil The excretion of Alprostadil can be decreased when combined with Pradigastat. Aminohippuric acid The excretion of Aminohippuric acid can be decreased when combined with Pradigastat. Avibactam The excretion of Avibactam can be decreased when combined with Pradigastat. Baricitinib The serum concentration of Baricitinib can be increased when it is combined with Pradigastat. Benzylpenicillin The excretion of Benzylpenicillin can be decreased when combined with Pradigastat. Bumetanide The excretion of Bumetanide can be decreased when combined with Pradigastat. Captopril The excretion of Captopril can be decreased when combined with Pradigastat. Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Phenylpyridines
- Direct Parent
- Phenylpyridines
- Alternative Parents
- Aminopyridines and derivatives / Primary aromatic amines / Benzene and substituted derivatives / Heteroaromatic compounds / Amino acids / Secondary amines / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organofluorides show 4 more
- Substituents
- 2-phenylpyridine / Alkyl fluoride / Alkyl halide / Amine / Amino acid / Amino acid or derivatives / Aminopyridine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid show 16 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2U23G6VNUZ
- CAS number
- 956136-95-1
- InChI Key
- GXALXAKNHIROPE-QAQDUYKDSA-N
- InChI
- InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-
- IUPAC Name
- 2-[(1r,4r)-4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl]acetic acid
- SMILES
- OC(=O)C[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C1=NC=C(NC2=CN=C(C=C2)C(F)(F)F)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 53387035
- PubChem Substance
- 347829024
- ChemSpider
- 28600522
- ChEMBL
- CHEMBL2364624
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Constipation - Functional 1 2 Completed Treatment Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD 1 2 Terminated Treatment Coronary Artery Disease (CAD) / Hypertriglyceridemias 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 0.000507 mg/mL ALOGPS logP 6.12 ALOGPS logP 5.28 ChemAxon logS -6 ALOGPS pKa (Strongest Acidic) 5.03 ChemAxon pKa (Strongest Basic) 4.31 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 75.11 Å2 ChemAxon Rotatable Bond Count 7 ChemAxon Refractivity 117.6 m3·mol-1 ChemAxon Polarizability 47 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Transporters
1. DetailsSolute carrier family 22 member 8
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Sodium-independent organic anion transmembrane transporter activity
- Specific Function
- Plays an important role in the excretion/detoxification of endogenous and exogenous organic anions, especially from the brain and kidney. Involved in the transport basolateral of steviol, fexofenad...
- Gene Name
- SLC22A8
- Uniprot ID
- Q8TCC7
- Uniprot Name
- Solute carrier family 22 member 8
- Molecular Weight
- 59855.585 Da
References
- Huo X, Liu K: Renal organic anion transporters in drug-drug interactions and diseases. Eur J Pharm Sci. 2018 Jan 15;112:8-19. doi: 10.1016/j.ejps.2017.11.001. Epub 2017 Nov 8. [Article]
Drug created at October 21, 2016 00:51 / Updated at February 21, 2021 18:54