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Compound Detail

CHEMBL3651924

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Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CCC[C@H](N)C3)n2)c1F

Basic Information

ChEMBL ID CHEMBL3651924
Phase Preclinical
Structure Type MOL
InChI Key QBDOORMZDCRUOU-CVEARBPZSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.97
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24F2N4O
MW 422.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.92

Activity Summary

IC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.0 9.0 1.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
IC50 8.7 8.7 2.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine