General
Preferred name
DELEOBUVIR
Synonyms
BI 207127 ()
DELEOBUVIR SODIUM ()
BI-207127 ()
BI 207127 NA ()
BI-207127 NA ()
BI-207127 SODIUM SALT ()
BI-207127NA ()
P&D ID
PD078648
CAS
863884-77-9
Tags
free of charge
available
probe
drug candidate
Drug indication
Hepatitis C virus infection
chronic hepatitis C virus infection
Drug Status
investigational
Max Phase
3.0
2.0
Probe info
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
1
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
BI 207127 is a highly potent and specific inhibitor of genotype(GT)-1 HCV polymerase activity (IC50 = 50 nM) and of antiviral activity (EC50 values of 11 and 23 nM in cell-based replicon GT1b and GT1a assays, respectively). It shows weak or no inhibition in specificity assays that include poliovirus RdRp, mammalian DdRp II, and DNA polymerase α, β, and γ. Furthermore, its in vitro ADME and in vivo cross-species PK profiles are consistent with further progression into drug development. BI 207127 displayed good antiviral potency and tolerability in clinical trials of short-term treatment either as a single agent or in combination with pegylated interferon-α2a/ribavirin (RBV) in HCV GT1 patients. Moreover, the interferon-free combination of our NS3 protease inhibitor faldaprevir with BI 207127 and ribavirin has demonstrated high efficacy and good tolerability in GT1b treatment-naive patients in phase II clinical trials. However, efficacy against GT1a has proven suboptimal in more recent trials, leading to the discontinuation of the development of BI 207127 as an anti-HCV drug.
(opnMe Portal)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
7
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
DrugBank
DrugMAP
High-quality chemical probes
Open Science Probes
opnMe Portal
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Molecular Weight
652.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
5
cLogP
6.85
TPSA
114.93
Fraction CSP3
0.32
Chiral centers
0.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Control name
BI-7656
Target
HCV NS5B
Source data
