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Compound Detail

CHEMBL5592938

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COc1ccc(NC(=O)C2c3cccc[n+]3CC(=O)N2c2ccccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592938
Phase Preclinical
Structure Type MOL
InChI Key IOEKUISBUUFXIL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.41
ALogP
4
HBA
2
HBD
82.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N3O4+
MW 390.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.59

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