Compound name
BAY-390
Protein family
Ion Channel
Target name
TRPA1
Affinity biochemical (nM)
16
Affinity on-target cellular (nM)
82
CG-Set
Ion Channel
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0001110a
SMILES
FC1=CC=C(N[C@H]2[C@](O)(CCCC2)C(F)(F)F)C=C1
InChIKey
IESAJAZKMLPVIB-VXGBXAGGSA-N
NCBI gene ID
8989
UniProt ID
O75762
Synonyms
TRPA1, ANKTM1
Mode of action
Inhibitor
Negative control
BAY-9897
Affinity biochemical definition
IC50
Affinity biochemical assay type
FLIPR Ca2+ assay (human TRPA1 overexpressing cell line CHO hTRPA1 GCaMP6)
Affinity Biochemical Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-390
Affinity biochemical relation
0
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Ephys (Patchliner, CHO cells)
Affinity on-target cellular source knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-390
Affinity on-target cellular relation
0
Selectivity platform
GPCR panel (PDSD screen)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, in vitro-potencies of closest targets: Ki(SLC6A3) = 1377.15 nM, Ki(HTR2A) = 2576.32 nM; Selectivity against family members in biochemical assays, all >30 fold: IC50(hTRPV1) >25 µM, IC50(hTRPV4) >25 µM, IC50(hTRPC3) >25 µM, IC50(hTRPC5) = 5.6 µM, IC50(hTRPC6) >25 µM, IC50(hKCNK9, TASK-3) >30 µM, IC50(hCACNA1H, Cav3.2) >25 µM; Selectivity screen in Eurofins Lead Profiling Screen, GPCR Profiling Screen and Bayer Kinase Panel was performed, in-vitro potencies of closest targets: Ki (SLC6A3, human) = 0.9 μM, Ki(PGR, human) = 4 μM, EC50(ESR1) = 2.1 μM
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-390
Selectivity Number of Off-targets
0