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Compound Detail

CHEMBL501723

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COc1ccc(-c2cc(-c3ccnc(N(C)C)c3)nc(=O)[nH]2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501723
Phase Preclinical
Structure Type MOL
InChI Key MIRQQHQYMXJKPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.58
ALogP
6
HBA
1
HBD
80.3
PSA (Ų)
0.76
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 C19H20N4O3
MW 352.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
 IC50 5.14 5.14 7300.0 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 = 7300.0 nM 5.14 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