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Compound Detail

CHEMBL1934189

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Clc1ccc(-c2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)cc1

Basic Information

ChEMBL ID CHEMBL1934189
Phase Preclinical
Structure Type MOL
InChI Key ZBMKZEUYRJLXFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
4.28
ALogP
5
HBA
1
HBD
80.2
PSA (Ų)
0.48
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 C19H11ClN6
MW 358.79
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II alpha'/ beta
CHEMBL3883328
IC50 7.7 7.7 20.0 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