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Compound Detail

CHEMBL1915430

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c1cc(-c2nnc[nH]2)c2nc(NC3CCCC3)c3ccncc3c2c1

Basic Information

ChEMBL ID CHEMBL1915430
Phase Preclinical
Structure Type MOL
InChI Key QLQXQPDNKGTPIA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.92
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.56
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 C19H18N6
MW 330.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.58 7.58 26.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 7.41 7.41 39.0 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

Data from ChEMBL 36 via Core Engine