Compound name
SGC-CAF382-1
Protein family
Protein Kinase
Target name
CDKL5
Affinity biochemical (nM)
6.7
Affinity on-target cellular (nM)
10
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0002312a
SMILES
CC(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
InChIKey
MCLDWKVRXDHDEI-UHFFFAOYSA-N
NCBI gene ID
6792
UniProt ID
O76039
Synonyms
EIEE2, CFAP247
Mode of action
Inhibitor
Negative control
SGC-CAF268-1N
Affinity biochemical definition
IC50
Affinity biochemical assay type
Competition binding assay (Luceome Biotechnologies)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/37162893/
Affinity biochemical relation
0
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular source knowledge
https://www.thesgc.org/chemical-probes/SGC-CAF382-1
Affinity on-target cellular relation
0
Selectivity platform
DiscoverX (scanMAX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, closest targets as % of control: GSK3A (0.7%), CDKL5 (0.7%), CDK17 (1.3%), CDK7 (1.9%), CDK16 (5.5%), CDK13 (5.9%), CDK9 (8.3%), YSK4 (14%), CDK18 (17%), CDK4 (20%), GSK3B (51%); In-vitro potency (radiometric enzymatic assays, Eurofins): IC50(GSK3A) = 470 nM, IC50(CDKL5) = 11 nM, IC50(CDK17) = 89 nM, IC50(CDK7) = 300 nM, IC50(CDK16) = 62 nM, IC50(CDK13) >10000 nM, IC50(CDK9) = 20 nM, IC50(YSK4) >10000 nM, IC50(CDK18) = 100 nM, IC50(CDK4) = 1900 nM, IC50(GSK3B) = 2250 nM; In-cellular potency (NanoBRET assay, HEK293T cells): IC50(GSK3A) = 1500 nM, IC50(CDKL5) = 10 nM, IC50(CDK17) = 240 nM, IC50(CDK16) = 390 nM, IC50(CDK9) = 280 nM, IC50(CDK18) = 260 nM, IC50(GSK3B) = 2400 nM
Selectivity Source Knowledge
https://www.thesgc.org/chemical-probes/SGC-CAF382-1
Selectivity Number of Off-targets
5