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Compound Detail

CHEMBL2032370

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N#CC1C(=O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL2032370
Phase Preclinical
Structure Type MOL
InChI Key GKEKUQYTCADDSQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

171.2
MW (Da)
1.21
ALogP
3
HBA
0
HBD
57.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5NO2
MW 171.15
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 5.22 5.22 6000.0 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