General
Preferred name
MDL-28170
Synonyms
MDL 28170 ()
Calpain Inhibitor III ()
P&D ID
PD015063
CAS
88191-84-8
756485-04-8
Tags
drug candidate
available
Drug indication
Alzheimer disease
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
MDL-28170 is a calpain and cathepsin B inhibitor . It impairs infection by SARS-CoV and Ebola virus (EBOV). MDL-28170 has some antiviral activity against SARS-CoV-2, and antagonises viral replication in human iPSC-derived pneumocyte-like cells .
(GtoPdb)
DESCRIPTION
Cell permeable calpain I and II inhibitor
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
3
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Molecular Weight
382.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
2
cLogP
2.86
TPSA
84.5
Fraction CSP3
0.32
Chiral centers
2.0
Largest ring
6.0
QED
0.65
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Calpain I / II
Member status
member
MOA
Calpain Inhibitors
Source data
