Compound name
TP-040
Target name
OGA
Affinity biochemical (nM)
46
Affinity on-target cellular (nM)
450
CG-Set
Other targets set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001572a
SMILES
CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1
InChIKey
PWKAYICUBVNJAZ-UHFFFAOYSA-N
NCBI gene ID
10724
UniProt ID
O60502
Synonyms
OGA, HEXC, KIAA0679, MEA5, MGEA5
Mode of action
Inhibitor
Negative control
TP-040n
Affinity biochemical definition
IC50
Affinity biochemical assay type
Fluorescent enzymatic assay
Affinity Biochemical Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c01712
Affinity biochemical relation
0
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
In-cell western assay (measuring induction of glycosylation by an increase in O-GlcNAcylated protein levels in human neuroblastoma SH-SY5Y cells)
Affinity on-target cellular source knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c01712
Affinity on-target cellular relation
0
Selectivity platform
Kinase panel (literature)
Selectivity platform number of targets
277
Selectivity remarks
Screened at 1 µM, clean selectivity profile with no kinase inhibited >50%; Screened at 10 µM against 45 GPCRs (PDSP screen), in vitro-potencies of closest targets: Ki(HTR2C) = 373.79 nM, Ki(GABAA/BZP) = 511.7 nM, Ki(HTR1D) = 417.5 nM, Ki(HTR2B) = 699.39 nM, Ki(SLC6A2) = 1935.54 nM, Ki(ADRA2B) = 2570.64 nM, Ki(ADRA2C) = 3432.79 nM
Selectivity Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c01712
Selectivity Number of Off-targets
0