General
Preferred name
PMID20690647C4b
Synonyms
compound 4b [PMID: 20690647] ()
P&D ID
PD049810
Tags
drug candidate
Drug indication
Discovery agent
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
Compound 4b is reported as an inhibitor of calpain 1 .
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Molecular Weight
582.29
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
4
Rotatable Bonds
15
Ring Count
3
Aromatic Ring Count
3
cLogP
1.73
TPSA
192.45
Fraction CSP3
0.46
Chiral centers
2.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
