Compound name
Tropifexor
Protein family
Nuclear Receptors
Target name
NR1H4
Affinity on-target cellular (nM)
0.26
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001169a
SMILES
FC1=C2C(SC(N3[C@H]4CC[C@@H]3C[C@H](OCC5=C(C6CC6)ON=C5C7=CC=CC=C7OC(F)(F)F)C4)=N2)=CC(C(O)=O)=C1
InChIKey
VYLOOGHLKSNNEK-PIIMJCKOSA-N
NCBI gene ID
9971
UniProt ID
Q96RI1
Synonyms
FXR, RIP14, HRR1, HRR-1
Mode of action
Agonist
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
Reporter gene assay (HEK293T cells were cotransfected with pGL3-hBSEP-luc reporter plasmid and hFXR expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.7b00907
Affinity on-target cellular relation
0
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
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): clean selectivty profile with no significant agonism/antagonism detected; Screened at 20 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)