General
Preferred name
Ac-YVAD-CMK
Synonyms
Caspase-1 Inhibitor II ()
Ac-Tyr-Val-Ala-Asp-chloromethylketone ()
Ac-Tyr-Val-Ala-Asp-CMK ()
P&D ID
PD021505
CAS
178603-78-6
Tags
available
covalent binder
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 Ac-YVAD-cmk (Caspase-1 Inhibitor II) is a selective caspase-1 (IL-1beta converting enzyme, ICE)) inhibitor with neuroprotective and anti-inflammatory effects. Ac-YVAD-cmk effectively suppresses the expression of IL-1¦Â and IL-18. Ac-YVAD-cmk inhibits pyroptosis in many diseases[1][2].
DESCRIPTION Ac-YVAD-CMK (Ac-Tyr-Val-Ala-Asp-CMK) is a selective and irreversible inhibitor of Caspase-1 and inhibits pyroptosis, IL-1β and IL-18. Ac-YVAD-CMK shows neuroprotective and anti-inflammatory capacity. (TargetMol Bioactive Compound Library)
Compound Sets
5
Cayman Chemical Bioactives
10014
CovBinderInPDB
CBR007558
CBR007555
CBR007199
CBR007198
CBR002670
CBR002663
MedChem Express Bioactive Compound Library
HY-16990
Selleckchem Bioactive Compound Library
ac-yvad-cmk
TargetMol Bioactive Compound Library
T36347
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
540.2
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
6
Rotatable Bonds
14
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.15
TPSA
191.0
Fraction CSP3
0.5
Chiral centers
4.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Pyroptosis
Caspase-1
IL-1β
inflammation
Caspase
Interleukins
Pathway
Apoptosis
Immunology/Inflammation
Proteases/Proteasome
Source data