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Compound Detail

CHEMBL4438392

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CN1CCOc2c1cnn1c(-c3cccc(-c4cccc(NC5CCNCC5)c4)n3)nnc21

Basic Information

ChEMBL ID CHEMBL4438392
Phase Preclinical
Structure Type MOL
InChI Key IRQZTXAUZZKHAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.85
ALogP
9
HBA
2
HBD
92.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N8O
MW 442.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 6.37 6.37 425.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30802730 10.1016/j.ejmech.2019.02.022 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine