General
Preferred name
acetylleucyl-leucyl-norleucinal
Synonyms
MG 101 ()
MG-101 ()
Ac-LLnL-CHO ()
ALLN ()
Calpain Inhibitor I ()
Calpain inhibitor-1 ()
MG101 ()
MG-101 (ALLN) ()
Calpain inhibitor-1, Ac-LLnL-CHO ()
P&D ID
PD005075
CAS
110044-82-1
Tags
available
covalent binder
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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
MG-101 is a tripeptide, covalent inhibitor of cysteine proteases . MG-101 has been examined for potential to inhibit endosome-dependent entry of RNA viruses into host cells, and for cross-reactivity with the SARS-CoV-2 Mpro (also a cysteine protease) .
(GtoPdb)
DESCRIPTION
MG-101, also known as Calpain Inhibitor I and ALLN, is a calpain inhibitor (IC50 = 0.09 μM) that activates p53-dependent apoptosis in tumor cell lines. Activities of MG-101 includes: (1) reduce colon injury caused by dinitrobenzene sulphonic acid, (2) overcome acquired resistance to TRAIL, (3) protect against atractyloside-induced toxicity. (4). reduce colon injury caused by dinitrobenzene sulphonic acid.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
1
Compound Sets
11
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugBank
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Molecular Weight
383.28
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
13
Ring Count
0
Aromatic Ring Count
0
cLogP
1.94
TPSA
104.37
Fraction CSP3
0.8
Chiral centers
3.0
Largest ring
0.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Proteases/Proteasome
Apoptosis
Metabolic Enzyme/Protease
Target
Cysteine Protease
Proteasome
MOA
Cysteine Protease inhibitor
Solubility
Soluble in DMSO, Methanol
Source data
