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Compound Detail

CHEMBL5406507

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CN(C)c1ccc(-c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)ccc2Cl)cc1

Basic Information

ChEMBL ID CHEMBL5406507
Phase Preclinical
Structure Type MOL
InChI Key DWDFKVQEJORMLW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.4
MW (Da)
5.38
ALogP
4
HBA
1
HBD
66.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20Cl2N2O3S
MW 463.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 28
CHEMBL2157853
IC50 5.55 5.55 2820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37075624 10.1016/j.ejmech.2023.115369 Ubiquitin carboxyl-terminal hydrolase 28 2

Data from ChEMBL 36 via Core Engine