Compound name
DY268
Protein family
Nuclear Receptors
Target name
NR1H4
Affinity on-target cellular (nM)
581
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001174a
SMILES
CC1=C(S(N2CCOCC2)(=O)=O)C=C(NC(C3=CN(CC4=CC(OC)=CC=C4)N=C3C5=CC=C(C)C=C5)=O)C=C1
InChIKey
KQSPAAPFKIEUGH-UHFFFAOYSA-N
NCBI gene ID
9971
UniProt ID
Q96RI1
Synonyms
FXR, RIP14, HRR1, HRR-1
Mode of action
Antagonist
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hFXR-LBD expression plasmid)
Affinity on-target cellular relation
0
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel, literature
Selectivity platform number of targets
20
Selectivity remarks
Screened at 1 µM against NR1H2, NR1H3, NR2A1, NR2B1, NR2C1, NR2E1, NR4A1, NR5A1 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): fold-activation = 0.61 (NR1H2), 0.72 (NR1H3) and 0.44 (NR2E1), EC50 = 1291 nM (NR1H2) and 1600 nM (NR1H3); Screened at 1 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Selectivity Number of Off-targets
3