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Compound Detail

CHEMBL502538

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

Basic Information

ChEMBL ID CHEMBL502538
Phase Preclinical
Structure Type MOL
InChI Key XJIYQYIDCXKECY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
4.00
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.57
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 C18H11F3N4O
MW 356.31
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
 IC50 6.96 6.96 110.0 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 = 110.0 nM 6.96 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