BMS-791826

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

Reduce drug development failure rates
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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
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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
ChemSpider
64854105

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceImmunoscience1

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
PropertyValueSource
Water Solubility0.00103 mg/mLALOGPS
logP4.77ALOGPS
logP5.2Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)6.83Chemaxon
pKa (Strongest Basic)0.88Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area97.31 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity145.71 m3·mol-1Chemaxon
Polarizability55.78 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0089-0000390000-db029e82141a4d031997
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-2001590000-6f38b155d7034d354d6d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00e9-3202590000-5e551f44aa6d6987b973
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05al-4002920000-e9e72fa4c261b7a52eb8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-0019210000-8ac1945b133ec283f923
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05n3-8101900000-bba028aa43abdf6ff277
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:43 / Updated at June 12, 2020 16:53