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Compound Detail

CHEMBL5400530

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N#CCc1cnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccnc(NC2CCOCC2)n1

Basic Information

ChEMBL ID CHEMBL5400530
Phase Preclinical
Structure Type MOL
InChI Key JLBWDBPHKABVBE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.3
MW (Da)
4.29
ALogP
7
HBA
1
HBD
88.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl2N6O
MW 429.31
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.37

Activity Summary

IC50 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 7.19 6.865 65.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36343411 10.1016/j.ejmech.2022.114894 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine