Compound name
Fenebrutinib
Protein family
Protein Kinase
Target name
BTK
Affinity biochemical (nM)
0.91
Affinity on-target cellular (nM)
11
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0001870a
SMILES
C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
InChIKey
WNEODWDFDXWOLU-QHCPKHFHSA-N
NCBI gene ID
695
UniProt ID
Q06187
Synonyms
ATK, XLA, PSCTK1
Mode of action
Inhibitor
Affinity biochemical definition
Ki
Affinity biochemical assay type
Biochemical assay
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/29457982/
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Human Ex Vivo Whole-Blood Phospho-BTK Assay (phospho-BTK (pBTK)(Y223) detection)
Affinity on-target cellular source knowledge
https://pubmed.ncbi.nlm.nih.gov/27821712/
Affinity on-target cellular relation
=
Selectivity platform
Kinase panel (Invitrogen SelectScreen Kinase Profiling Services, Thermo Fisher Scientific)
Selectivity platform number of targets
221
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: SRC (>50%), FGR (>50%), BMX (>50%); Screened at 1 µM against 286 kinases, SelectScreen panel (ThermoFisher, Madison, WI), closest targets as % of inhibition: BTK (99%), BMX (56%), FGR (69%), SRC(70%), full screening data available as supporting information, https://pubmed.ncbi.nlm.nih.gov/29457982/; In-vitro potency (enzymatic assay): IC50(YES) >1 µM, IC50(NTRK2) >1 µM, IC50(NTRK1) >1 µM, IC50(TXK) >1 µM, IC50(TNK2) >1 µM, IC50(TEC) >1 µM, IC50(STK16) >1 µM, IC50(SRM) >1 µM, IC50(ROS) >1 µM, IC50(RIPK2) >1 µM, IC50(RET) >1 µM, IC50(MUSK) >1 µM, IC50(LYN) >1 µM, IC50(LCK) >1 µM, IC50(JAK3) >1 µM, IC50(ITK) >1 µM, IC50(IG1FR) >1 µM, IC50(HCK) >1 µM, IC50(FRK) >1 µM, IC50(FLT3) >1 µM, IC50(EPHB1) >1 µM, IC50(EPHA7) >1 µM, IC50(EPHA1) >1 µM, IC50(ERBB4) >1 µM, IC50(ERBB2) >1 µM, IC50(EGFR) >1 µM, IC50(CSK) >1 µM, IC50(BRK) >1 µM, IC50(BLK) >1 µM, IC50(FGR) = 0.381 µM, IC50(BMX) = 0.351 µM, IC50(SRC) = 0.302 µM, https://pubs.acs.org/doi/10.1021/acs.jmedchem.7b01712;
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/27821712/
Selectivity Number of Off-targets
0