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Compound Detail

CHEMBL478323

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CCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL478323
Phase Preclinical
Structure Type MOL
InChI Key NYRSJZZCKXOVET-UHFFFAOYSA-N

Known Names

BAS-8770951
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

404.5
MW (Da)
4.09
ALogP
4
HBA
2
HBD
82.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O4
MW 404.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.86

Activity Summary

Ki 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19179076 10.1016/j.bmcl.2009.01.005 Serine/threonine-protein kinase pim-1 4

Data from ChEMBL 36 via Core Engine