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Compound Detail

CHEMBL4531334

T3-CLK
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CN1CCN(C(=O)C(C)(C)c2ccc(C(=O)Nc3cn4cc(-c5ccncc5)ccc4n3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531334
Name T3-CLK
Phase Preclinical
Structure Type MOL
InChI Key IEFFSHLHNYVSEF-UHFFFAOYSA-N
12
Targets
42
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
3.70
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula C28H30N6O2
MW 482.59
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.51

Activity Summary

IC50 39 meas. best 9.17
Ki 3 meas. best 5.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein kinase CLK1
CHEMBL4224
 IC50 9.17 8.9586 0.7 7
Dual specificity protein kinase CLK2
CHEMBL4225
 IC50 9.12 7.9489 0.8 9
Dual specificity protein kinase CLK4
CHEMBL4203
 IC50 8.7 8.7 2.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 IC50 7.5 6.948 32.0 5
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
 IC50 7.17 6.905 67.0 4
Dual specificity protein kinase CLK3
CHEMBL4226
 IC50 6.96 6.96 110.0 4
Serine/threonine-protein kinase SIK2
CHEMBL5699
 IC50 6.9 6.9 125.0 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 6.86 6.2133 138.0 3
Histamine H1 receptor
CHEMBL231
 Ki 5.67 5.67 2138.0 3
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 5.61 5.61 2440.0 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 5.6 5.6 2520.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein kinase CLK1 IC50 = 0.67 nM 9.17 Inhibition of N-terminal FLAG-tagged human Clk1 using myelin basic protein as su... 35635953
Dual specificity protein kinase CLK1 IC50 = 0.67 nM 9.17 In vitro kinase assay (CLK1) -
Dual specificity protein kinase CLK1 IC50 = 0.67 nM 9.17 Inhibition of CLK1 (unknown origin) using ULight MBP peptide as substrate incuba... 28232751
Dual specificity protein kinase CLK1 IC50 = 0.67 nM 9.17 Affinity Biochemical interaction (Enzymatic inhibition assay) EUB0000321b CLK1 -
Dual specificity protein kinase CLK1 IC50 = 0.67 nM 9.17 Inhibition of human CLK1 34519506
Dual specificity protein kinase CLK2 IC50 = 0.76 nM 9.12 Inhibition of N-terminal FLAG-tagged human CLK2 using ULight MBP peptide as subs... 28232751
Dual specificity protein kinase CLK4 IC50 = 1.98 nM 8.7 NanoBRET (SGC Frankfurt) (CLK4) -
Dual specificity protein kinase CLK1 IC50 = 3.49 nM 8.46 NanoBRET (SGC Frankfurt) (CLK1) -
Dual specificity protein kinase CLK1 IC50 = 4.0 nM 8.4 Affinity On-target Cellular interaction (NanoBRET assay (HEK293T cells)) EUB0000... -
Dual specificity protein kinase CLK2 IC50 = 15.0 nM 7.82 Affinity Biochemical interaction (Enzymatic inhibition assay) EUB0000321b CLK2 -
Dual specificity protein kinase CLK2 IC50 = 15.0 nM 7.82 Inhibition of N-terminal FLAG-tagged human CLK2 using ULight MBP peptide as subs... 28232751
Dual specificity protein kinase CLK2 IC50 = 15.0 nM 7.82 Inhibition of N-terminal FLAG-tagged human CLK2 using ULight MBP peptide as subs... 28232751
Dual specificity protein kinase CLK2 IC50 = 15.0 nM 7.82 Inhibition of N-terminal FLAG-tagged human Clk2 using myelin basic protein as su... 35635953
Dual specificity protein kinase CLK2 IC50 = 15.0 nM 7.82 In vitro kinase assay (CLK2) -
Dual specificity protein kinase CLK2 IC50 = 16.6 nM 7.78 NanoBRET (SGC Frankfurt) (CLK2) -
Dual specificity protein kinase CLK2 IC50 = 17.0 nM 7.77 Affinity On-target Cellular interaction (NanoBRET assay (HEK293T cells)) EUB0000... -
Dual specificity protein kinase CLK2 IC50 = 17.0 nM 7.77 Inhibition of human CLK2 by NanoBRET assay 34519506
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 32.0 nM 7.5 NanoBRET (SGC Frankfurt) (DYRK1A) -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 32.0 nM 7.5 Selectivity interaction (NanoBRET assay (HEK293T cells)) EUB0000321b DYRK1A -
Dual specificity tyrosine-phosphorylation-regulated kinase 1B IC50 = 67.0 nM 7.17 Selectivity interaction (NanoBRET assay (HEK293T cells)) EUB0000321b DYRK1B -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4689842 HEK-293T 429
- 10.6019/CHEMBL4689842 U2OS 428
- 10.6019/CHEMBL4689842 Fibroblast 423
28232751 10.1038/s41467-016-0008-7 HCT-116 61
28232751 10.1038/s41467-016-0008-7 Dual specificity protein kinase CLK1 21
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL4507307 Unchecked 8
- 10.6019/CHEMBL5724696 U2OS 8
28232751 10.1038/s41467-016-0008-7 Dual specificity protein kinase CLK2 7
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
- 10.1158/2159-8290.CD-23-0050 Colon cancer organoid 5
- 10.6019/CHEMBL4507307 Cyclin-dependent kinase 5/CDK5 activator 1 4
28232751 10.1038/s41467-016-0008-7 Cyclin-dependent kinase 5/CDK5 activator 1 4
- 10.6019/CHEMBL4507307 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 4
- 10.6019/CHEMBL4507307 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 4
- 10.6019/CHEMBL4507307 Dual specificity protein kinase CLK2 4
- 10.6019/CHEMBL4507307 Dual specificity protein kinase CLK1 4
28232751 10.1038/s41467-016-0008-7 Dual specificity protein kinase CLK3 4
28232751 10.1038/s41467-016-0008-7 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 3

Data from ChEMBL 36 via Core Engine