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Compound Detail

CHEMBL4753615

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Clc1cccc(COc2ncnc3[nH]cnc23)c1

Basic Information

ChEMBL ID CHEMBL4753615
Phase Preclinical
Structure Type MOL
InChI Key LNRHVBRKSFFLMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.7
MW (Da)
2.59
ALogP
4
HBA
1
HBD
63.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9ClN4O
MW 260.68
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)
CHEMBL2111377
IC50 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33139113 10.1016/j.ejmech.2020.112968 CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) 1
33139113 10.1016/j.ejmech.2020.112968 Cell division cycle 7-related protein kinase 1

Data from ChEMBL 36 via Core Engine