Compound name
Ceralasertib
Protein family
Protein Kinase
Target name
ATR
Affinity biochemical (nM)
1
Affinity on-target cellular (nM)
74
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0002888b
SMILES
O=[S@@](C1(CC1)C2=NC(C3=C4C(NC=C4)=NC=C3)=NC(N5CCOC[C@H]5C)=C2)(C)=N
InChIKey
OHUHVTCQTUDPIJ-JYCIKRDWSA-N
NCBI gene ID
545
UniProt ID
Q13535
Synonyms
FRP1, SCKL, SCKL1, MEC1
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
Kinase-Glo assay (Promega)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/26517239/
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
ELISA (ATR kinase-dependent CHK1 phosphorylation in HT29 cells)
Affinity on-target cellular source knowledge
https://pubmed.ncbi.nlm.nih.gov/30346772/
Affinity on-target cellular relation
=
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: PI3KC2G (61%), CLK4 (57%), PIK3CD (47%), full screening data are available as supporting informationpubmed.ncbi.nlm.nih.gov/30346772/
In-cellular potency (cellular kinase assay): IC50(ATM) >30 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-cellular potency (cellular kinase assay): IC50(DNAPK) >30 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-cellular potency (cellular kinase assay): IC50(MTOR) >23 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-cellular potency (cellular kinase assay): IC50(PIK3CA) >30 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(ATR) = 0.134 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(ATM) > 10 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(DNAPK) = 7.4 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(MTOR) = 3.8 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(PIK3CA) >10 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-cellular potency (cellular kinase assay): IC50(ATM) >30 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-cellular potency (cellular kinase assay): IC50(DNAPK) >30 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-cellular potency (cellular kinase assay): IC50(MTOR) >23 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-cellular potency (cellular kinase assay): IC50(PIK3CA) >30 µM, https://pubmed.ncbi.nlm.nih.gov/26517239/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(ATR) = 0.134 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(ATM) > 10 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(DNAPK) = 7.4 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(MTOR) = 3.8 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
In-vitro potency (enzymatic assay, Kinase Profiler Eurofins): IC50(PIK3CA) >10 µM, https://pubmed.ncbi.nlm.nih.gov/34911817/;
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/30346772/
Selectivity Number of Off-targets
0