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Compound Detail

CHEMBL2032373

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O=C(c1ccco1)c1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL2032373
Phase Preclinical
Structure Type MOL
InChI Key ZGNXEAXRPSISJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
2.99
ALogP
2
HBA
1
HBD
46.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9NO2
MW 211.22
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22339127 10.1021/jm2014698 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine