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Compound Detail

CHEMBL5204448

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O=S(=O)(c1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204448
Phase Preclinical
Structure Type MOL
InChI Key RWZKQHNSSCRPHI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
3.73
ALogP
4
HBA
0
HBD
68.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12Cl2O4S2
MW 391.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic elongation factor 2 kinase
CHEMBL5026
 IC50 7.16 7.16 69.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Eukaryotic elongation factor 2 kinase IC50 = 69.0 nM 7.16 Inhibition of eEF2K (unknown origin) 35483594

Literature References

PubMed DOI Target Context # Activities
35483594 10.1016/j.bmcl.2022.128759 Eukaryotic elongation factor 2 kinase 1

Data from ChEMBL 36 via Core Engine