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Compound Detail

CHEMBL5290717

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O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5290717
Phase Preclinical
Structure Type MOL
InChI Key WGLZJLBKPOARSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
-0.01
ALogP
6
HBA
2
HBD
116.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3O6S
MW 411.48
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.59

Activity Summary

Kd 1 meas. best 4.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 5
CHEMBL6158
 Kd 4.35 4.35 45000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase 5 Kd = 45000.0 nM 4.35 Binding affinity to biotinylated USP5 zinc finger ubiquitin binding domain (171 ... 34648286

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

Data from ChEMBL 36 via Core Engine