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Compound Detail

CHEMBL500662

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O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2cccc(OCc3ccccc3)c2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL500662
Phase Preclinical
Structure Type MOL
InChI Key PLBRKNMYWMNPRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.56
ALogP
4
HBA
2
HBD
83.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18N4O2
MW 394.43
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
 IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cell division cycle 7-related protein kinase IC50 = 6.0 nM 8.22 Inhibition of CDC7-DBF4 18672368

Literature References

PubMed DOI Target Context # Activities
18672368 10.1016/j.bmcl.2008.07.061 Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine