Compound name
A-1596586
Protein family
ABC transporter
Target name
CFTR
Affinity on-target cellular (nM)
28
CG-Set
Ion Channel
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000544a
SMILES
COc1ccc2c(c1)O[C@@H](C[C@@H]2NC(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)=O)c1ccc(c(c1)OC)OC
InChIKey
KDOQEEMQPHIANX-REWPJTCUSA-N
NCBI gene ID
1080
UniProt ID
P13569
Synonyms
CFTR, ABCC7
Mode of action
Corrector
Negative control
A-1596584
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
CFTR Restoration Trans-Epithelial Current Clamp (TECC) assay (in HBE cells from F508del CF patients)
Affinity on-target cellular relation
=
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
71
Selectivity remarks
Screened at 10 µM (binding assay), closest targets as % inhibition: BZD peripheral (95.5%), ADORA3 (63.9%) and ADRA2B (63.5%); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest target: HIPK4 (51%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(GABA/PBR) = 19.59 nM, Ki(SIGMAR1) = 314.63 nM, Ki(TMEM97) = 1192.34;Screened in Eurofins-Cerep panel against 7 targets at 10 µM (enzymes and uptake assays): clean profile;
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/A-1596586
Selectivity Number of Off-targets
0