General
Preferred name
GW 311616A
Synonyms
GW311616 (hydrochloride) ()
GW311616A ()
GW311616 hydrochloride ()
P&D ID
PD016376
CAS
198062-54-3
197890-44-1
Tags
available
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
GW-311616 is a potent, orally bioavailable, long duration and selective human neutrophil elastase (HNE) inhibitor with IC50 value of 22 nM and Ki value of 0.31 nM[1].
DESCRIPTION
Potent, selective and orally active human neutrophil elastase (HNE) inhibitor (IC50 value 22 nM). GW311616A is selective over other human serine proteases (IC50 values >100 μM for trypsin, cathepsin G, and plasmin, >3 μM for chymotrypsin and tissue plasminogen activator), and does not inhibit AchE at 100 μM.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
EUbOPEN Chemogenomics Library
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Molecular Weight
433.18
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
0
cLogP
1.49
TPSA
78.0
Fraction CSP3
0.79
Chiral centers
3.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HNE inhibitor
Elastase
Pathway
Metabolic Enzyme/Protease
Recommended Cell Concentration
None
Source data
