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Compound Detail

CHEMBL6047438

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COc1cccc(-c2csc(N(C)C(=O)[C@@H]3CCCN3C#N)n2)n1

Basic Information

ChEMBL ID CHEMBL6047438
Phase Preclinical
Structure Type MOL
InChI Key FJGGYYJGDVVUII-ZDUSSCGKSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
2.12
ALogP
7
HBA
0
HBD
82.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N5O2S
MW 343.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.71

Activity Summary

IC50 4 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
Ubiquitin carboxyl-terminal hydrolase 30
CHEMBL4523357
IC50 5.26 5.26 5500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine