General
Preferred name
A-770041
Synonyms
A 770041 ()
A770041 ()
cpd 20 ()
L2G ()
P&D ID
PD016619
CAS
869748-10-7
Tags
available
probe
Probe info
Probe type
experimental probe
P&D approved
Probe selectivity
protein-selective
Probe sources
Chemical Probes.org
High-quality chemical probes
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
COMMENT This is a selective probe within the src family of RTK’s as described. Selectivity outside this family has been mentioned, but data not provided. From JPET paper: “A-770041 is 60-fold selective against Src, 95-fold selective against Fgr, and 300-fold selective against Fyn. A-770041 was also greater than 200-fold selective against a secondary battery of approximately 20 serine/threonine and tyrosine kinases outside of the Src family and IC50 values greater than 10 uM in a CEREP panel of approximately 70 molecular targets (data not shown).” Dec 18 2020 - 10:48am; Initial studies involving development and medicinal chemistry were performed against purified proteins (including selectivity panels) and in vivo in rats and mice. Two later studies used this probe in cells to potentiate chemotherapies, in which case a range of concentrations were tested, and to target an acute myeloid leukemia cell line known to have a mutant dysregulated Lck protein. The latter studies provide good evidence for cellular engagement of the target in a selective way. Jan 19 2021 - 12:39pm
DESCRIPTION A-770041 is a selective and orally active Src-family Lck inhibitor. A-770041 inhibits Lck with an IC50 value of 147 nM with the presence of 1 mM ATP. A-770041 shows 300-fold selective to Lck over Fyn, the other Src family kinase involved in T-cell signaling. A-770041 can be used for the research of acute rejection[1][2].
PRICE 238
DESCRIPTION A-770041 is an orally active and selective Lck inhibitor that inhibits concanavalin A-stimulated IL-2 production in whole blood and prevents cardiac allograft rejection. A-770041 reduces pulmonary fibrosis by inhibiting TGF-?? production in regulatory T cells.
MOA Inhibitor (Chemical Probes.org)
Cell lines
211
Organisms
0
Compound Sets
7
Axon Medchem Screening Library
1698
Cayman Chemical Bioactives
32854
Chemical Probes.org
770041
EUbOPEN Chemogenomics Library
EUB0001785
High-quality chemical probes
PD016619
MedChem Express Bioactive Compound Library
HY-11011
Novartis Chemogenetic Library (NIBR MoA Box)
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
621.32
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
7
Aromatic Ring Count
5
cLogP
4.48
TPSA
136.43
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
IL-2 Production Inhibitors
Inhibitors of Signal Transduction Pathways
Lck Kinase Inhibitors
Target
Lck inhibitor
LCK
SRC
Orthogonal probe
WH-4-023
Target class
Protein kinase
Kinase
Pathway
Protein Tyrosine Kinase/RTK
Target subclass
TK
Recommended Cell Concentration
None
Source data