Compound name
Lorlatinib
Protein family
Protein Kinase
Target name
ROS1
Affinity biochemical (nM)
0.025
Affinity on-target cellular (nM)
0.53
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000690a
SMILES
FC1=CC=C(C(N(C)CC2=NN(C)C(C#N)=C32)=O)C([C@@H](C)OC4=C(N)N=CC3=C4)=C1
InChIKey
IIXWYSCJSQVBQM-LLVKDONJSA-N
NCBI gene ID
6098
UniProt ID
P08922
Synonyms
MCF3, ROS, c-ros-1
Mode of action
Inhibitor
Affinity biochemical definition
Ki
Affinity biochemical assay type
Microfluidic mobility shift assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1073/pnas.1420785112
Affinity biochemical relation
<
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Sandwich ELISA (cell-based ROS1-fusion assay)
Affinity on-target cellular relation
<
Selectivity platform
Z’-LYTE assays (SelectScreen Invitrogen)
Selectivity platform number of targets
206
Selectivity remarks
Screened at 1 µM, closest off-targets: Ki(LTK) = 2.7 nM, Ki(FER) = 3.3 nM, Ki(FES) = 6 nM, Ki(PTK2B) = 14 nM, Ki(TNK2) = 17 nM, Ki(PTK2) = 17 nM, Ki(NTRK1) = 24 nM, Ki(NTKR2) = 23 nM, Ki(NTRK3) = 46 nM, Ki(FRK) = 53 nM, Ki(EGFR(L858R/T790M)) = 56 nM, Ki(EGFR(T790M) = 319 nM, Ki(JAK2) = 529 nM, others >75% inhibition at 1 µM
Selectivity Source Knowledge
https://doi.org/10.1021/jm500261q
Selectivity Number of Off-targets
11