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Compound Detail

CHEMBL5276040

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COc1ccc2c(c1OC)C(=O)c1nc(C#N)c(C#N)nc1-2

Basic Information

ChEMBL ID CHEMBL5276040
Phase Preclinical
Structure Type MOL
InChI Key YIMMJHWPDQFOAQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.2
MW (Da)
1.45
ALogP
7
HBA
0
HBD
108.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8N4O3
MW 292.25
Aromatic Rings 2
Heavy Atoms 22

Activity Summary

IC50 2 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 8
CHEMBL2157854
IC50 6.15 6.15 710.0 1
Ubiquitin carboxyl-terminal hydrolase 7
CHEMBL2157850
IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

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