General
Preferred name
necrosulfonamide
Synonyms
(E)-Necrosulfonamide ()
(E/Z)-Necrosulfonamide ()
Necrosulfonamide-d4 ()
P&D ID
PD003384
CAS
1360614-48-7
432531-71-0
1795144-22-7
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 Necrosulfonamide is a necroptosis inhibitor acting by selectively targeting the mixed lineage kinase domain-like protein (MLKL). Necrosulfonamide prevents MLKL-RIP1-RIP3 necrosome complex from interacting with its downstream effectors. MLKL is a critical substrate of RIP3 during the induction of necrosis[1].
DESCRIPTION (E/Z)-Necrosulfonamide is a racemic compound of Necrosulfonamide (HY-100573). Necrosulfonamide is a necroptosis inhibitor acting by selectively targeting the mixed lineage kinase domain-like protein (MLKL). Necrosulfonamide prevents MLKL-RIP1-RIP3 necrosome complex from interacting with its downstream effectors. MLKL is a critical substrate of RIP3 during the induction of necrosis[1][2].
PRICE 65
DESCRIPTION inhibitor of downstream signaling of RIP3 associated with MLKL (Informer Set)
DESCRIPTION Reactivator of mutant p53 (Tocris Bioactive Compound Library)
DESCRIPTION Necrosulfonamide is a pharmacological inhibitor of MLKL with IC50 values of 124 nM in human HT-29, which significantly decreases BV6/DAC-induced cell death in MV4-11 cells. It prevents MLKL-RIP1-RIP3 necrosome complex from interacting with downstream necrosis effectors. (BOC Sciences Bioactive Compounds)
DESCRIPTION (E)-Necrosulfonamide ((E)-Necrosulfonamide) is an inhibitor of necroptosis. Blocks mixed lineage kinase domain-like protein (MLKL), a critical substrate of receptor-interacting serine-threonine kinase 3 (RIP3) during necrosis. Prevents MLKL-RIP1-RIP3 necrosome complex from interacting with downstream necrosis effectors. Binds and inhibits gasdermin D. Inhibits pyroptosis. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
10
BOC Sciences Bioactive Compounds
necrosulfonamide-cas-1360614-48-7-item-170273
Cayman Chemical Bioactives
20844
34702
CZ-OPENSCREEN Bioactive Library
Informer Set
677522
MedChem Express Bioactive Compound Library
HY-100573
HY-100573A
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
Selleckchem Bioactive Compound Library
necrosulfonamide
TargetMol Bioactive Compound Library
T6904
Tocris Bioactive Compound Library
5025
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
461.05
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
3
cLogP
2.91
TPSA
153.42
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Compound status
probe
Target
Mixed lineage kinase
necrosis(MLKL)
Primary Target
Necroptosis
MOA
Inhibitor
Reduces sulfur mustard intoxication
Covalent Necroptosis Inhibitors
Member status
member
Pathway
Apoptosis
MAPK/ERK Pathway
MAPK
Solubility
DMSO to 20 mM
Source data