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Compound Detail

CHEMBL4785453

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N#C/C(=C\c1ccc(N)cc1)C(=O)Nc1nnc(C(F)(F)F)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785453
Phase Preclinical
Structure Type MOL
InChI Key YKMQENZMYKQTOA-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
2.68
ALogP
6
HBA
2
HBD
104.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8F3N5OS
MW 339.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.83

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