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Compound Detail

CHEMBL1934192

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CN(c1cccc(Cl)c1)c1nc2cc(C(=O)O)ccc2c2cnccc12

Basic Information

ChEMBL ID CHEMBL1934192
Phase Preclinical
Structure Type MOL
InChI Key AJHIBRVOSKJYNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.8
MW (Da)
4.90
ALogP
4
HBA
1
HBD
66.3
PSA (Ų)
0.52
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 C20H14ClN3O2
MW 363.80
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II alpha'/ beta
CHEMBL3883328
IC50 8.05 8.05 8.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22169261 10.1016/j.bmcl.2011.11.087 Casein kinase II alpha'/ beta 1

Data from ChEMBL 36 via Core Engine