BMS-929075

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

Identification

Generic Name
BMS-929075
DrugBank Accession Number
DB14950
Background

BMS-929075 is under investigation in clinical trial NCT01525212 (Multiple Ascending Dose Study of BMS-929075 in Hepatitis C Virus (HCV) Infected Patients).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 538.555
Monoisotopic: 538.181646975
Chemical Formula
C31H24F2N4O3
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8S38482CST
CAS number
1217338-97-0
InChI Key
LZAUGCMVNLZVJV-UHFFFAOYSA-N
InChI
InChI=1S/C31H24F2N4O3/c1-17-4-5-19(28(38)37-31(12-13-31)30-35-14-3-15-36-30)16-22(17)21-10-11-23-24(26(21)33)25(29(39)34-2)27(40-23)18-6-8-20(32)9-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,34,39)(H,37,38)
IUPAC Name
4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
SMILES
CNC(=O)C1=C(OC2=C1C(F)=C(C=C2)C1=C(C)C=CC(=C1)C(=O)NC1(CC1)C1=NC=CC=N1)C1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
58828056
BindingDB
50239248
ChEMBL
CHEMBL4093031
PDBe Ligand
8XJ
PDB Entries
5pzp

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1WithdrawnTreatmentChronic Hepatitis C Virus (HCV) Infection1

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 Solubility0.0132 mg/mLALOGPS
logP4.6ALOGPS
logP4.99Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)14.8Chemaxon
pKa (Strongest Basic)0.43Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area97.12 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity146.51 m3·mol-1Chemaxon
Polarizability55.83 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/MSsplash10-052r-0200090000-af1f58c46ec4332b738c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-07bk-0205690000-9319088b1d05149f8cf7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0k9i-0201490000-3e9049c5713e7e003b6b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kv0-4601890000-0d8637c15411b7b8e6b2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fia-1209320000-0fd1a41487d97251d6ad
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gxc-4904750000-17e497449b533ad752b8
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:37 / Updated at June 12, 2020 16:53