BMS-791826
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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
- BMS-791826
- DrugBank Accession Number
- DB15023
- Background
BMS-791826 is under investigation in clinical trial NCT03198013 (A Study of Pharmacokinetics (PK) and Pharmacodynamics (PD) in Relation to Prednisolone in Healthy Males).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 531.61
Monoisotopic: 531.174039054 - Chemical Formula
- C28H26FN5O3S
- Synonyms
- Not Available
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
- 60BN6CDL0K
- CAS number
- 1008116-73-1
- InChI Key
- DZBKAUMYTFPJIS-QHCPKHFHSA-N
- InChI
- InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m0/s1
- IUPAC Name
- N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-{1-methyl-1-[(1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}-5H-chromeno[2,3-b]pyridin-2-yl]benzamide
- SMILES
- CCN(C)C(=O)C1=CC=C(C=C1F)C1=NC2=C(C=C1)[C@H](C1=CC=CC=C1O2)C(C)(C)C(=O)NC1=NN=CS1
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854105
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Immunoscience 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 0.00103 mg/mL ALOGPS logP 4.77 ALOGPS logP 5.2 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 6.83 Chemaxon pKa (Strongest Basic) 0.88 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 97.31 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 145.71 m3·mol-1 Chemaxon Polarizability 55.78 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 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 14:43 / Updated at June 12, 2020 16:53