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Compound Detail

CHEMBL2048132

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O=C(O)Cc1cn(-c2cncc(-n3cc(CC(=O)O)c4ccccc43)n2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL2048132
Phase Preclinical
Structure Type MOL
InChI Key WWRNKHNDRJCAMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
3.62
ALogP
6
HBA
2
HBD
110.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N4O4
MW 426.43
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.50

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 300.0 nM 6.52 Inhibition of CK2 22633690

Literature References

PubMed DOI Target Context # Activities
22633690 10.1016/j.bmcl.2012.05.006 Unchecked 1

Data from ChEMBL 36 via Core Engine