Compound name
MSC-4381
Protein family
Ion Channel
Target name
SLC16A3
Affinity biochemical (nM)
11
Affinity on-target cellular (nM)
1
CG-Set
Ion Channel
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001566aK
SMILES
CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C#Cc2cnc(C(=O)[O-])cc2OC)c2ncccc12.[K+]
InChIKey
HBYQBJCBPAXCBO-UHFFFAOYSA-M
NCBI gene ID
9123
UniProt ID
O15427
Synonyms
MCT 3 MCT 4 MCT-3 MCT-4 MCT3 MCT4
Mode of action
Inhibitor
Negative control
MSC-0516
Affinity biochemical definition
Ki
Affinity biochemical assay type
Fluorescence cross-correlation spectroscopy (FCCS)
Affinity Biochemical Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c00448
Affinity biochemical relation
0
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Lactate efflux inhibition assay (MDA-MB-231 cells expressing SLC16A3)
Affinity on-target cellular source knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c00448
Affinity on-target cellular relation
0
Selectivity platform
CEREP panel (in-house data Merck)
Selectivity platform number of targets
58
Selectivity remarks
Screened at 10 µM, in-vitro potencies of closest targets: IC50(HTR6) = 4.6 µM, IC50(AVPR1A, human) = 7.1 µM, IC50(PTGER1) >30 µM, IC50(PTGER2) >30 µM; Screened at 10 µM against 45 GPCRs (PDSP screen), in-vitro potencies of closest targets: Ki(HTR1E) >10 µM, Ki(HTR5A) = 1.625 µM
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/chemProbes#!specificprobeoverview/MSC-4381
Selectivity Number of Off-targets
0