General
Preferred name
Vapendavir
Synonyms
Vapendavir (diphosphate) ()
BTA798 (diphosphate) ()
Bta798 ()
BTA-798 ()
Vapendavir-d5 ()
Vapendavir diphosphate ()
P&D ID
PD096188
CAS
1198151-75-5
2738376-73-1
439085-51-5
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
Drug indication
Asthma
Probe control
Probe control not defined
Orthogonal probes
0
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
Vapendavir diphosphate (BTA798 diphosphate) is a potent enteroviral capsid binder (CB). Vapendavir diphosphate (BTA798 diphosphate) possesses potent antiviral activity for enterovirus 71 (EV71) replication, with EC50 values of 0.5-1.4 ¦ÌM in different EV71 strains[1][2].
PRICE
230
DESCRIPTION
Vapendavir diphosphate (BTA798 diphosphate) is a rhinoceros/enterovirus inhibitor that targets the hydrophobic pocket in the viral capsid and is a capsid-binding agent with antiviral activity that prevents viral entry into the cell. Vapendavir diphosphate inhibits EV71 replication.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
2
Compound Sets
6
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Pandemic Response Box
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
382.2
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
4.01
TPSA
73.51
Fraction CSP3
0.48
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Antiviral
Pathway
Anti-infection
Target
Enterovirus
Source data
