General
Preferred name
AZ 10417808
Synonyms
AZ10417808 ()
P&D ID
PD021744
CAS
331645-84-2
Tags
drug candidate
available
Drug indication
Discovery agent
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 Selective non-peptide caspase-3 inhibitor (Tocriscreen Plus)
DESCRIPTION Selective non-peptide caspase-3 inhibitor (Tocriscreen Total)
DESCRIPTION AZ 10417808 is a non-peptide and selective inhibitor of human caspase-3 with Ki value of 247 nM. It is selective over other caspases. It blocks cellular and biochemical features of apoptosis in cells. It also blocks staurosporine-induced intracellular DEVDase activity in SH-SY5Y cells. It is a bioactive chemical. (BOC Sciences Bioactive Compounds)
Compound Sets
7
BOC Sciences Bioactive Compounds
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
Guide to Pharmacology
Tocriscreen Plus
Tocriscreen Total
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
433.03
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
3
cLogP
3.8
TPSA
130.02
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.31
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Custom attributes
(extracted from source data)
Target Type
Enzymes
Target
CASP3
MOA
Caspase inhibitor
Source data