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Compound Detail

CHEMBL1915424

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O=C(NC1CC1)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12

Basic Information

ChEMBL ID CHEMBL1915424
Phase Preclinical
Structure Type MOL
InChI Key AKTIZWAVQKASGW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
5.07
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN4O
MW 388.86
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.39

Activity Summary

IC50 2 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.13 7.13 74.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 6.97 6.97 107.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21982499 10.1016/j.bmcl.2011.09.059 Casein kinase II 1
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