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Compound Detail

CHEMBL1934181

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CCNc1ncc2c(n1)c(-c1ccc(Cl)cc1)nc1cc(C(=O)O)ccc12

Basic Information

ChEMBL ID CHEMBL1934181
Phase Preclinical
Structure Type MOL
InChI Key SBPXCMXKIPTYLQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
4.63
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.50
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 C20H15ClN4O2
MW 378.82
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II alpha'/ beta
CHEMBL3883328
IC50 9.3 9.3 0.5 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