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Compound Detail

CHEMBL367390

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O=C(O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1

Basic Information

ChEMBL ID CHEMBL367390
Phase Preclinical
Structure Type MOL
InChI Key JZQQAMWHSMDRQY-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
4.72
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.57
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 C20H14N2O3
MW 330.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.84

Activity Summary

IC50 3 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk2
CHEMBL2527
IC50 6.19 6.15 640.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771432 10.1021/jm0495935 Serine/threonine-protein kinase Chk2 1
16442290 10.1016/j.bmcl.2005.12.096 Serine/threonine-protein kinase Chk2 1

Data from ChEMBL 36 via Core Engine