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Compound Detail

CHEMBL5592760

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Cc1cccc(C)c1NC(=O)C1c2cccc[n+]2CC(=O)N1c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592760
Phase Preclinical
Structure Type MOL
InChI Key DBHUNXYXQGLIKF-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
4.34
ALogP
2
HBA
1
HBD
53.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F3N3O2+
MW 440.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
37944867 10.1016/j.bmcl.2023.129547 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine