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Compound Detail

CHEMBL574284

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OCCCNc1cc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574284
Phase Preclinical
Structure Type MOL
InChI Key LZJBQFGZJIYHES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
4.31
ALogP
7
HBA
3
HBD
92.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F4N5O2
MW 437.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit alpha
CHEMBL3629
 IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase II subunit alpha IC50 = 3600.0 nM 5.44 Inhibition of Zea mays CK2alpha 12816539

Literature References

PubMed DOI Target Context # Activities
12816539 10.1042/bj20030674 Casein kinase II subunit alpha 1

Data from ChEMBL 36 via Core Engine