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Compound Detail

CHEMBL1915642

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CN(C)CCOc1ccc(Nc2nc3c(-c4nnc[nH]4)cccc3c3cnccc23)c(F)c1

Basic Information

ChEMBL ID CHEMBL1915642
Phase Preclinical
Structure Type MOL
InChI Key OZZCHQRAYPMEEI-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
4.39
ALogP
7
HBA
2
HBD
91.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22FN7O
MW 443.49
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.46

Activity Summary

IC50 3 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 8.15 8.15 7.0 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21982499 10.1016/j.bmcl.2011.09.059 Serine/threonine-protein kinase pim-1 1
21982499 10.1016/j.bmcl.2011.09.059 Serine/threonine-protein kinase pim-2 1
28760531 10.1016/j.bmc.2017.07.036 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine