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Compound Detail

CHEMBL393238

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N#Cc1c(-c2ccc(O)cc2)cc(-c2ccccc2O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL393238
Phase Preclinical
Structure Type MOL
InChI Key ZPDMQXNFMLCPDW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
2.99
ALogP
4
HBA
3
HBD
97.1
PSA (Ų)
0.68
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 C18H12N2O3
MW 304.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 6.37 6.37 430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 430.0 nM 6.37 Inhibition of Pim1 kinase 17251021

Literature References

PubMed DOI Target Context # Activities
17251021 10.1016/j.bmcl.2006.12.086 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine