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Compound Detail

CHEMBL5772195

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CO[C@H]1C[C@@H](C(=O)N(C)c2nc(-c3ccccc3)cs2)N(C(=O)OC(C)(C)C)C1

Basic Information

ChEMBL ID CHEMBL5772195
Phase Preclinical
Structure Type MOL
InChI Key KNMIHEMZRYEGMW-RDJZCZTQSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.80
ALogP
6
HBA
0
HBD
72.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O4S
MW 417.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase isozyme L1
CHEMBL6159
IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine