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Compound Detail

CHEMBL2322678

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c1cnc2[nH]cc(-c3ccnc(NC4CCCCC4)c3)c2c1

Basic Information

ChEMBL ID CHEMBL2322678
Phase Preclinical
Structure Type MOL
InChI Key WKRDKCCCKLPHDU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
4.37
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.75
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 C18H20N4
MW 292.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.78

Activity Summary

Ki 1 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.06 8.06 8.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900653 10.1021/ml300348c Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine