BMS-986141

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
BMS-986141
DrugBank Accession Number
DB14942
Background

BMS-986141 is under investigation in clinical trial NCT02985632 (A Study to Evaluate the Pharmacokinetics of BMS-986141 in Participants With Hepatic Impairment Compared to Healthy Participants).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 561.63
Monoisotopic: 561.114061209
Chemical Formula
C27H23N5O5S2
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzofurans
Sub Class
Not Available
Direct Parent
Benzofurans
Alternative Parents
Benzamides / Benzoyl derivatives / Anisoles / Alkyl aryl ethers / 2,4-disubstituted thiazoles / N-substituted imidazoles / Thiadiazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Furans
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Substituents
2,4-disubstituted 1,3-thiazole / Alkyl aryl ether / Anisole / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzamide / Benzenoid / Benzofuran / Benzoic acid or derivatives
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
W530IRZ40G
CAS number
1478711-48-6
InChI Key
KEEBLYWBELVGPQ-UHFFFAOYSA-N
InChI
InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3
IUPAC Name
4-(4-{[(6-methoxy-2-{2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl}-1-benzofuran-4-yl)oxy]methyl}-1,3-thiazol-2-yl)-N,N-dimethylbenzamide
SMILES
COC1=NN2C=C(N=C2S1)C1=CC2=C(O1)C=C(OC)C=C2OCC1=CSC(=N1)C1=CC=C(C=C1)C(=O)N(C)C

References

General References
Not Available
ChemSpider
58960890
BindingDB
176003
ChEMBL
CHEMBL3716552
ZINC
ZINC000205663568

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCoronary Artery Disease (CAD) / Healthy Volunteers (HV)1
2CompletedTreatmentThrombosis1
1CompletedBasic ScienceIschemic Stroke1
1CompletedBasic ScienceThrombosis1
1WithdrawnTreatmentHealthy Volunteers (HV)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
PropertyValueSource
Water Solubility0.03 mg/mLALOGPS
logP4.9ALOGPS
logP4.89Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)2.11Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area104.22 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity177.23 m3·mol-1Chemaxon
Polarizability60.17 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-03di-0040090000-06fdc2e3a84d776a9856
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dj-0084090000-a543daa2c338573155f3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0010090000-cbd7b6d43c0a2f0b4316
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0259000000-619c607c3e453e80792b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-0527980000-a0c6f68c22066b1df490
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-2971010000-82126717326be2458248
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:36 / Updated at June 12, 2020 16:53