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Compound Detail

CHEMBL5273795

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O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)s1

Basic Information

ChEMBL ID CHEMBL5273795
Phase Preclinical
Structure Type MOL
InChI Key VSDJJCJIGYVRGS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
2.13
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O5S2
MW 408.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.51

Activity Summary

Kd 2 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 5
CHEMBL6158
Kd 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34648286 10.1021/acs.jmedchem.1c00889 Ubiquitin carboxyl-terminal hydrolase 5 1
34648286 10.1021/acs.jmedchem.1c00889 Histone deacetylase 6 1
34648286 10.1021/acs.jmedchem.1c00889 Unchecked 1

Data from ChEMBL 36 via Core Engine