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Compound Detail

CHEMBL1929214

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CC(C)(C)c1cc(C(=O)N2CCSCC2)c(NC(=O)Nc2cccc3ccccc23)s1

Basic Information

ChEMBL ID CHEMBL1929214
Phase Preclinical
Structure Type MOL
InChI Key WDVYMIJZYQKAKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
6.03
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O2S2
MW 453.63
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22014550 10.1016/j.bmcl.2011.09.078 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine