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Compound Detail

CHEMBL4791650

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CN(C(=O)[C@@H]1CCCN1C#N)c1nc(-c2cccc(C#N)c2)cs1

Basic Information

ChEMBL ID CHEMBL4791650
Phase Preclinical
Structure Type MOL
InChI Key LJALYPZMAKFPSM-HNNXBMFYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
2.59
ALogP
6
HBA
0
HBD
84.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N5OS
MW 337.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.90

Activity Summary

IC50 4 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 30
CHEMBL4523357
IC50 6.26 6.26 550.0 2
Ubiquitin carboxyl-terminal hydrolase isozyme L1
CHEMBL6159
IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29935771 10.1016/j.bmcl.2018.05.013 Ubiquitin carboxyl-terminal hydrolase 30 1

Data from ChEMBL 36 via Core Engine