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Compound Detail

CHEMBL5281075

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N#Cc1nc2c(nc1C#N)-c1ccc(F)cc1C2=O

Basic Information

ChEMBL ID CHEMBL5281075
Phase Preclinical
Structure Type MOL
InChI Key MLVYMHCKGZRDFG-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.2
MW (Da)
1.57
ALogP
5
HBA
0
HBD
90.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H3FN4O
MW 250.19
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.88

Activity Summary

IC50 4 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 8
CHEMBL2157854
IC50 6.6 6.6 250.0 2
Ubiquitin carboxyl-terminal hydrolase 7
CHEMBL2157850
IC50 5.37 5.37 4300.0 1
Ubiquitin carboxyl-terminal hydrolase 47
CHEMBL2157851
IC50 5.37 5.37 4300.0 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 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