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Compound Detail

CHEMBL501732

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O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccc(N3CCNCC3)cc2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501732
Phase Preclinical
Structure Type MOL
InChI Key DIRGEJUTJGRJNW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.39
ALogP
5
HBA
3
HBD
89.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O
MW 372.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
 IC50 7.4 7.4 40.0 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 = 40.0 nM 7.4 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