Compound name
(R,R)-THC
Protein family
Nuclear Receptors
Target name
NR3A2
Affinity on-target cellular (nM)
4
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0003330a
SMILES
CC[C@@H]1CC2=C(C=CC(=C2)O)C3=C1C4=C(C[C@H]3CC)C=C(C=C4)O
InChIKey
MASYAWHPJCQLSW-ZIAGYGMSSA-N
Mode of action
Agonist, Antagonist
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Reporter gene assay (HEC-1 cells were transfected with a (ERE)3-pS2-CAT, ?-galactosidase as control and reporter expression vectors for ER? or Er?)
Affinity on-target cellular source knowledge
https://doi.org/10.1210/endo.140.2.6480
https://doi.org/10.1021/jm990101b
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: ?Tm(ABL1) = 5.33 K, all other bromodomains and kinases ?Tm < 2 K; IC50 = 1310 nM (NR1H4; FRET-Assay) reported in literature
Selectivity Source Knowledge
https://doi.org/10.1016/j.bmc.2013.04.069
Selectivity Number of Off-targets
2