This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Epacadostat
- DrugBank Accession Number
- DB11717
- Background
Epacadostat has been used in trials studying the treatment of HL, Melanoma, Glioblastoma, Mucosal Melanoma, and Ovarian Carcinoma, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Epacadostat (DB11717)
- Weight
- Average: 438.23
Monoisotopic: 436.991714 - Chemical Formula
- C11H13BrFN7O4S
- Synonyms
- Epacadostat
- Epacadostatum
- External IDs
- INCB 024360
- INCB-024360
- INCB024360
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Epacadostat is combined with Cinchocaine. 
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
- ATC Codes
- L01XX58 — Epacadostat
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Halobenzenes
- Direct Parent
- Fluorobenzenes
- Alternative Parents
- Secondary alkylarylamines / Bromobenzenes / Sulfuric acid diamides / Imidolactams / Aryl fluorides / Aryl bromides / Heteroaromatic compounds / Furazans / Azacyclic compounds / Amidines show 5 more
- Substituents
- Amidine / Amine / Aromatic heteromonocyclic compound / Aryl bromide / Aryl fluoride / Aryl halide / Azacycle / Azole / Bromobenzene / Fluorobenzene show 18 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 71596A9R13
- CAS number
- 1204669-58-8
- InChI Key
- FBKMWOJEPMPVTQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
- IUPAC Name
- (Z)-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
- SMILES
- NS(=O)(=O)NCCNC1=NON=C1\C(NC1=CC=C(F)C(Br)=C1)=N\O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 91826917
- PubChem Substance
- 347828080
- ChemSpider
- 34448418
- BindingDB
- 50126143
- ChEMBL
- CHEMBL3545369
- ZINC
- ZINC000113208009
- PDBe Ligand
- BBJ
- Wikipedia
- Epacadostat
- PDB Entries
- 5wn8 / 6e40 / 6ic2 / 6vkg
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Active Not Recruiting Treatment Head And Neck Cancer 1 3 Active Not Recruiting Treatment Renal Cell Carcinoma (RCC) 1 3 Completed Treatment Melanoma 1 3 Completed Treatment Urothelial Cancer 2 3 Terminated Treatment Lung Cancer 1 3 Withdrawn Treatment Head And Neck Cancer 1 2 Active Not Recruiting Treatment Malignant Ovarian Clear Cell Tumor / Recurrent Ovarian Carcinoma 1 2 Active Not Recruiting Treatment Pancreatic Adenocarcinoma Metastatic 1 2 Active Not Recruiting Treatment Sarcomas 1 2 Completed Treatment Adenocarcinomas of the Gastroesophageal Junction / Gastric Adenocarcinoma / Recurrent Esophageal Carcinoma / Recurrent Gastric Carcinoma / Stage IV Esophageal Cancer AJCC v7 / Stage IV Gastric Cancer AJCC v7 / Unresectable Esophageal Carcinoma 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 0.419 mg/mL ALOGPS logP 1.43 ALOGPS logP 0.089 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 5.6 Chemaxon pKa (Strongest Basic) -1.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 167.76 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 93.53 m3·mol-1 Chemaxon Polarizability 35.25 Å3 Chemaxon Number of Rings 2 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 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
Drug created at October 20, 2016 20:42 / Updated at January 14, 2023 19:02