Compound name
AZD9496
Protein family
Nuclear Receptors
Target name
NR3A1
Affinity on-target cellular (nM)
0.28
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001793a
SMILES
C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)/C=C/C(=O)O)F)NC4=CC=CC=C24
InChIKey
DFBDRVGWBHBJNR-BBNFHIFMSA-N
Mode of action
Antagonist (Degrader)
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Immunostaining multiplexed cell assay (MCF-7 cells)
Affinity on-target cellular source knowledge
https://doi.org/10.1021/acs.jmedchem.5b00984
Affinity on-target cellular relation
0
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel, literature
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 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); IC50 = 540 nM (NR3C3) reported in literature
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.5b00984
Selectivity Number of Off-targets
1