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Compound Detail

CHEMBL5593789

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Cc1cccc(C)c1NC(=O)C1c2cccc[n+]2CC(=O)N1CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5593789
Phase Preclinical
Structure Type MOL
InChI Key XKLSXXXOSZMBIX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
1.11
ALogP
3
HBA
2
HBD
73.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N3O3+
MW 340.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.72

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