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Compound Detail

CHEMBL5273898

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CN(C)C1CCN(S(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)CC1

Basic Information

ChEMBL ID CHEMBL5273898
Phase Preclinical
Structure Type MOL
InChI Key UVRPVNZNWUSEDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
0.22
ALogP
5
HBA
2
HBD
107.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23N3O5S
MW 369.44
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.60

Activity Summary

Kd 1 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 5
CHEMBL6158
Kd 4.1 4.1 80000.0 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