General
Preferred name
ML026
Synonyms
2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid ()
P&D ID
PD005778
Tags
drug candidate
probe
natural product
Drug Status
experimental
Probe info
Probe type
experimental probe
Probe sources
MLP Probes
Probe targets
[[ compound.targets[t].gene_name ]]
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
To identify novel inhibitors (both covalent and non-covalent) of the AmpC B-lactamase enzyme class.
(MLP Probes)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Molecular Weight
389.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
3
cLogP
2.83
TPSA
111.98
Fraction CSP3
0.09
Chiral centers
1.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Classification
Probe
Source data
