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Compound Detail

CHEMBL5269269

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O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3cccc(F)c3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5269269
Phase Preclinical
Structure Type MOL
InChI Key BRIUKMCNEFULFQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.21
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN2O5S
MW 420.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.59

Activity Summary

Kd 2 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 5
CHEMBL6158
 Kd 4.51 4.51 31000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase 5 Kd = 31000.0 nM 4.51 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
34648286 10.1021/acs.jmedchem.1c00889 Unchecked 1

Data from ChEMBL 36 via Core Engine