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Compound Detail

CHEMBL2322680

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Cc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL2322680
Phase Preclinical
Structure Type MOL
InChI Key IJLSUPPGRIVDPB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.55
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4
MW 314.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.18

Activity Summary

Ki 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.82 7.82 15.0 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