Compound name
ABT-546
Protein family
GPCR
Target name
EDNRA
Affinity biochemical (nM)
0.46
Affinity on-target cellular (nM)
0.59
CG-Set
GPCR set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000348aPTSA
SMILES
COC1=CC([C@@H]2[C@H]([C@@H](N(C2)CC(N(CCCC)CCCC)=O)CC(C)(CCC)C)C(O)=O)=CC3=C1OCO3.CC4=CC=C(S(=O)(O)=O)C=C4
InChIKey
AADJQCRYJYCVDO-KQQHTNMISA-N
NCBI gene ID
1909
UniProt ID
P25101
Synonyms
ET-A, ETA-R, hET-AR
Mode of action
Antagonist
Negative control
A-545
Affinity biochemical definition
Ki
Affinity biochemical assay type
[125I]-endothelin-1 saturation binding assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1016/s0014-2999(98)00891-7
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/ABT-546
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Endothelin-1-evoked phosphatidylinositol hydrolysis in MMQ cells
Affinity on-target cellular relation
=
Selectivity platform
CEREP panel (Eurofins)
Selectivity platform number of targets
75
Selectivity remarks
Screened at 10 µM against 75 receptors, ion channels and other enzymes, closest targets as % inhibition: EDNRB (56%), OPRD1 (62 %); in vitro follow up: Ki(EDNRB) = 13000 nM; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target as % inhibition: HRH1(54%); In vitro follow up: Ki(HRH1) >10 µM; Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets: CDK5 (0%), CLK4 (0%), MAP3K13 (0%);
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/ABT-546
Selectivity Number of Off-targets
0