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Compound Detail

CHEMBL5532263

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CCO/N=C1\c2ccccc2-c2nc(C#N)c(C#N)nc21

Basic Information

ChEMBL ID CHEMBL5532263
Phase Preclinical
Structure Type MOL
InChI Key VKVAJBRQGBRHIK-XSFVSMFZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.99
ALogP
6
HBA
0
HBD
95.0
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 C15H9N5O
MW 275.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.86

Activity Summary

IC50 2 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 8
CHEMBL2157854
IC50 6.55 6.55 280.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724796 Casein kinase I isoform delta 2
- 10.6019/CHEMBL5724796 Cyclin-dependent kinase 2 2
- 10.6019/CHEMBL5724796 Glycogen synthase kinase-3 beta 2
- 10.6019/CHEMBL5724796 Mitogen-activated protein kinase 1 2
- 10.6019/CHEMBL5724796 Aurora kinase A 2
- 10.6019/CHEMBL5724796 Tyrosine-protein kinase ABL1 2
- 10.6019/CHEMBL5724796 Fibroblast growth factor receptor 2 2
- 10.6019/CHEMBL5724796 Peregrin 2
- 10.6019/CHEMBL5724796 Transcription intermediary factor 1-alpha 2
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 2
38452725 10.1016/j.ejmech.2024.116275 Ubiquitin carboxyl-terminal hydrolase 8 1
- 10.6019/CHEMBL5723035 Ubiquitin carboxyl-terminal hydrolase 8 1

Data from ChEMBL 36 via Core Engine