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Compound Detail

CHEMBL4117419

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NCc1ccc(-c2ccccc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117419
Phase Preclinical
Structure Type MOL
InChI Key CUCWYGFPAKDUOM-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

217.7
MW (Da)
3.47
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12ClN
MW 217.70
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.64

Activity Summary

IC50 1 meas.
Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
29759799 10.1016/j.bmc.2018.05.011 Casein kinase II alpha/beta 1
36745746 10.1021/acs.jmedchem.2c01523 Casein kinase 2 1

Data from ChEMBL 36 via Core Engine