General
Preferred name
ES-936
Synonyms
ES 936 ()
P&D ID
PD008366
CAS
192820-78-3
Tags
available
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)
PRICE
120
DESCRIPTION
ES 936 is a potent and selective NQO1 inhibitor, inhibiting more than 95% of NQO1 activity within 30 minutes at a concentration of 100 nM, with a cell line-dependent inhibition duration resulting in a small number of DNA strand breaks.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
0
Compound Sets
5
DrugBank
DrugMAP
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
356.1
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
2.73
TPSA
100.67
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
mechanism-based irreversible inhibitor
Pathway
Metabolic Enzyme/Protease
NF-κB
Target
Quinone Reductase
Source data
