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Compound Detail

CHEMBL4127890

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O=C1NCCN1c1cncc(-c2ccc3[nH]cc(-c4ccccc4F)c3c2)n1

Basic Information

ChEMBL ID CHEMBL4127890
Phase Preclinical
Structure Type MOL
InChI Key OUFYOWHGJCSWTJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.96
ALogP
3
HBA
2
HBD
73.9
PSA (Ų)
0.57
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 C21H16FN5O
MW 373.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.21

Activity Summary

IC50 2 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 6.59 6.59 257.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
IC50 6.56 6.56 273.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29871845 10.1016/j.bmcl.2018.05.054 Serine/threonine-protein kinase pim-1 1
29871845 10.1016/j.bmcl.2018.05.054 Serine/threonine-protein kinase pim-2 1
29871845 10.1016/j.bmcl.2018.05.054 Serine/threonine-protein kinase pim-3 1

Data from ChEMBL 36 via Core Engine