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Compound Detail

CHEMBL1915635

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Cc1ccc(F)cc1Nc1nc2c(-c3nnc[nH]3)cccc2c2cnccc12

Basic Information

ChEMBL ID CHEMBL1915635
Phase Preclinical
Structure Type MOL
InChI Key MSUFNCHTJLZAPS-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.76
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15FN6
MW 370.39
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.49

Activity Summary

IC50 3 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 8.22 8.22 6.0 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 8.1 8.1 8.0 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