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Compound Detail

CHEMBL5280738

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CCSc1nc2c(nc1C#N)C(=O)c1ccccc1-2

Basic Information

ChEMBL ID CHEMBL5280738
Phase Preclinical
Structure Type MOL
InChI Key IJQNEAJXLGLMAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
2.67
ALogP
5
HBA
0
HBD
66.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9N3OS
MW 267.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 8
CHEMBL2157854
IC50 4.34 4.34 46000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase 8 IC50 = 46000.0 nM 4.34 Inhibition of human USP8 using Ub-AMC as substrate 32092586

Literature References

PubMed DOI Target Context # Activities
32092586 10.1016/j.ejmech.2020.112107 Ubiquitin carboxyl-terminal hydrolase 7 1
32092586 10.1016/j.ejmech.2020.112107 Ubiquitin carboxyl-terminal hydrolase 8 1

Data from ChEMBL 36 via Core Engine