General
Preferred name
CPUY192018
Synonyms
CPUY-192018 ()
CPUY192018 Na2 ()
P&D ID
PD064787
CAS
1567836-15-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION CPUY192018 binds to kelch like ECH associated protein 1 (KEAP1) and prevents its interaction with the transcription factor nuclear factor erythroid 2-related factor 2 (Nrf2; NFE2L2; Q16236) . CPUY192018 acts as a functional Nrf2 activator. It binds non-covalently to KEAP1, unlike the approved Nrf2 activator and the failed clinical lead , which form irreversible, covalent bonds with a key cysteine residue in KEAP1 .
DESCRIPTION CPUY192018 is a potent inhibitor of the Keap1-Nrf2 protein-protein interaction, with an IC50 of 0.63 ¦ÌM. CPUY192018 exhibits anti-inflammatory and antioxidant activities. CPUY192018 can activate the Nrf2-dependent antioxidant pathway and inhibit the NF-¦ÊB-related inflammatory response. CPUY192018 can be used in the research of inflammation-related diseases[1][2].
PRICE 237
DESCRIPTION CPUY192018 binds to kelch like ECH associated protein 1 (KEAP1) and prevents its interaction with the transcription factor nuclear factor erythroid 2-related factor 2 (Nrf2; NFE2L2; Q16236) . CPUY192018 acts as a functional Nrf2 activator. It binds non-covalently to KEAP1, unlike the approved Nrf2 activator and the failed clinical lead , which form irreversible, covalent bonds with a key cysteine residue in KEAP1 . (GtoPdb)
DESCRIPTION CPUY192018 is an inhibitor of Keap1-Nrf2 protein-protein interactions and shows cytoprotective effects in NCM460 colon cells.CPUY192018 inhibits glycolysis, enhances resistance to oxidative stress, and can be used to study mitochondrial autophagy. (TargetMol Bioactive Compound Library)
Compound Sets
4
Guide to Pharmacology
9710
IPPI - DB
1906
MedChem Express Bioactive Compound Library
HY-120371
TargetMol Bioactive Compound Library
T27077
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
614.1
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
12
Ring Count
4
Aromatic Ring Count
4
cLogP
3.42
TPSA
167.82
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Apoptosis
Keap1-Nrf2
NF-κB
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-¦ÊB
Source data