Compound name
A-079
Protein family
TRP channel
Target name
TRPA1
Affinity biochemical (nM)
67
Affinity on-target cellular (nM)
51
CG-Set
Ion Channel
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000308b
SMILES
Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
InChIKey
MMPAULQSJLVKHP-UHFFFAOYSA-N
NCBI gene ID
8989
UniProt ID
O75762
Synonyms
TRPA1, ANKTM1
Mode of action
Antagonist
Negative control
A-226
Affinity biochemical definition
IC50
Affinity biochemical assay type
FLIPR-based Ca2+ assay (activated by 30 µM AITC)
Affinity Biochemical Source Knowledge
https://doi.org/10.1124/jpet.111.189902
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/A-079
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Electrophysiological assay (inhibition of AITC (allylthiocyanate, 100 µmol/L)-evoked currents in HEK293F cells transiently overexpressing hTRPA1)
Affinity on-target cellular relation
=
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
75
Selectivity remarks
Screened at 10 µM (radioligand binding assay) against 75 enzymes, GPCRS, transporters, and ion channels, closest targets as % inhibition: to SLC6A3 (43%), SLC6A2 (32%), MTNR1A (31%), >1000-fold selective over other TRP channels (TRPV1, TRPV3, TRPV4, or TRPM8); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest target as % of contr.: ULK2 (46%) ; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(SIGMAR1) =505.48 nM;
Selectivity Source Knowledge
https://doi.org/10.1016/j.pain.2011.01.049
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/A-079
Selectivity Number of Off-targets
0