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Compound Detail

CHEMBL4783065

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N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1nnc(C(F)(F)F)s1

Basic Information

ChEMBL ID CHEMBL4783065
Phase Preclinical
Structure Type MOL
InChI Key QKDBZMBOOPBRGH-XVNBXDOJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)
2.72
ALogP
8
HBA
2
HBD
142.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H6F3N5O4S
MW 385.28
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit alpha
CHEMBL3629
IC50 6.15 6.15 710.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32283296 10.1016/j.ejmech.2020.112267 Casein kinase II subunit alpha 1

Data from ChEMBL 36 via Core Engine