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Compound Detail

CHEMBL4288096

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COc1ccc(/C=C2\SC(=S)NC2=O)cc1C#C[Si](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4288096
Phase Preclinical
Structure Type MOL
InChI Key JHFDWHHUUUMRLK-UVTDQMKNSA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2S2Si
MW 347.54

Activity Summary

IC50 8 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 IC50 6.96 6.1267 110.0 3
Maternal embryonic leucine zipper kinase
CHEMBL4578
 IC50 6.7 6.7 200.0 1
Dual specificity protein kinase CLK3
CHEMBL4226
 IC50 5.14 5.14 7232.0 1
Dual specificity protein kinase CLK1
CHEMBL4224
 IC50 5.08 5.08 8313.0 1
Dual specificity protein kinase CLK2
CHEMBL4225
 IC50 5.08 5.08 8406.0 1
HT-22
CHEMBL614316
 IC50 4.19 4.19 64800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 110.0 nM 6.96 Inhibition of DYRK1A Y319E mutant (unknown origin) expressed in HEK293 cells ass... 29985601
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 110.0 nM 6.96 Inhibition of DYRK1A (unknown origin) 30243157
Maternal embryonic leucine zipper kinase IC50 = 200.0 nM 6.7 Inhibition of MELK (unknown origin) 32331933
Dual specificity protein kinase CLK3 IC50 = 7232.0 nM 5.14 Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for... 36876904
Dual specificity protein kinase CLK1 IC50 = 8313.0 nM 5.08 Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for... 36876904
Dual specificity protein kinase CLK2 IC50 = 8406.0 nM 5.08 Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for... 36876904
Dual specificity tyrosine-phosphorylation-regulated kinase 1A IC50 = 35000.0 nM 4.46 Inhibition of FLAG-tagged full-length human recombinant DYRK1A (127 to 485 resid... 34742017
HT-22 IC50 = 64800.0 nM 4.19 Cytotoxicity against mouse HT-22 cells assessed as reduction in cell viability i... 36876904

Literature References

PubMed DOI Target Context # Activities
34742017 10.1016/j.ejmech.2021.113948 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 4
36876904 10.1021/acs.jmedchem.2c02068 Cyclin-dependent kinase 5/CDK5 activator 1 1
30243157 10.1016/j.ejmech.2018.08.093 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 3 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK4 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK3 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK2 1
36876904 10.1021/acs.jmedchem.2c02068 Dual specificity protein kinase CLK1 1
36876904 10.1021/acs.jmedchem.2c02068 Casein kinase I isoform epsilon 1
29985601 10.1021/acs.jmedchem.8b00185 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
34742017 10.1016/j.ejmech.2021.113948 Ribosomal protein S6 kinase alpha-5 1
34742017 10.1016/j.ejmech.2021.113948 Tyrosine-protein kinase Fyn 1
34742017 10.1016/j.ejmech.2021.113948 Hsp90 co-chaperone Cdc37 1
34742017 10.1016/j.ejmech.2021.113948 Heat shock protein HSP90 1
34742017 10.1016/j.ejmech.2021.113948 Rho-associated protein kinase 1 1
34742017 10.1016/j.ejmech.2021.113948 Polycystin-1 1
34742017 10.1016/j.ejmech.2021.113948 HEK293 1

Data from ChEMBL 36 via Core Engine