Compound name
MRL-650
Protein family
GPCR
Target name
CNR1
Affinity biochemical (nM)
7.5
Affinity on-target cellular (nM)
4.9
CG-Set
GPCR set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000296b
SMILES
CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIKey
VHSIAYLBCLUAFT-UHFFFAOYSA-N
NCBI gene ID
1268
UniProt ID
P21554
Synonyms
CB1K5, CB-R, CB1, CANN6, CB1A
Mode of action
Inverse agonist
Negative control
MRL-CB1-NC
Affinity biochemical definition
IC50
Affinity biochemical assay type
Radioligand binding assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.9b01460
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/MRL-650
Affinity biochemical relation
=
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
Radioimmunoassay (hCB1r functional activation assay on recombinant hCB1r CHO cells)
Affinity on-target cellular relation
=
Selectivity platform
GPCR screen (PDSP)
Selectivity platform number of targets
45
Selectivity remarks
Screened at 10 µM, closest targets: Ki(GABA/PBR) = 82 nM, Ki(TMEM97) = 605 nM, Ki(SIGMAR1) = 1158 nM; Radioligand binding assay: IC50(CNR2) = 4.1 µM (PMID: 31859507); Screened against 468 kinases (KinomeScan DiscoverX) at 1 µM, closest targets as % contr.: DYRK1B (35%), STK11 (43%), EIF2AK4 (48%), PIK3C2B (48%), PRKCE (48%); Screened against 168 enzymes and receptors (MSD Pharma/Taiwan screen) at 10 µM, closest targets: IC50(ALOX5) = 1.34 µM, IC50(EGFR) = 3.26 µM, IC50(MAPK14) = 3.68 µM, IC50(MAPK3) = 8.61 µM; Radioligand binding assays (MDS Pharma Service): Ki(SLC18A2) = 0.648 µM, Ki(ADORA3) = 0.773 µM, Ki(SLC6A3) = 0.799 µM, Ki(ADRA2C) = 1.13 µM;
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/MRL-650
Selectivity Number of Off-targets
0