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Compound Detail

CHEMBL5276519

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N#Cc1nc2c(nc1C#N)C1(OCCO1)c1ccccc1-2

Basic Information

ChEMBL ID CHEMBL5276519
Phase Preclinical
Structure Type MOL
InChI Key SRDZVQATVIGJSQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.2
MW (Da)
1.45
ALogP
6
HBA
0
HBD
91.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8N4O2
MW 276.25
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.38

Activity Summary

IC50 2 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 8
CHEMBL2157854
IC50 4.89 4.89 13000.0 2

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 8 2
32092586 10.1016/j.ejmech.2020.112107 Ubiquitin carboxyl-terminal hydrolase 7 1
32092586 10.1016/j.ejmech.2020.112107 Ubiquitin carboxyl-terminal hydrolase 47 1

Data from ChEMBL 36 via Core Engine