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Compound Detail

CHEMBL5595688

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C=CCN1C(=O)C[n+]2ccccc2C1C(=O)Nc1c(C)cccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595688
Phase Preclinical
Structure Type MOL
InChI Key HBFJVUYOEDXNTI-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.30
ALogP
2
HBA
1
HBD
53.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N3O2+
MW 336.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.83

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