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Compound Detail

CHEMBL502268

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O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2F)[nH]1

Basic Information

ChEMBL ID CHEMBL502268
Phase Preclinical
Structure Type MOL
InChI Key YOAXEIQBHIJOOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
3.12
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.60
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 C17H11FN4O
MW 306.30
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
IC50 8.0 8.0 10.0 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 = 10.0 nM 8.0 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