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Compound Detail

CHEMBL4862620

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CCCCCCCCCOc1ccc2c(c1)Nc1nc(=O)n(COCCO)cc1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4862620
Phase Preclinical
Structure Type MOL
InChI Key OSAGFUWFEGXOHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
4.19
ALogP
8
HBA
2
HBD
94.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N3O5
MW 417.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
33894564 10.1016/j.ejmech.2021.113467 Human alphaherpesvirus 3 2
33894564 10.1016/j.ejmech.2021.113467 Human betaherpesvirus 5 2
33894564 10.1016/j.ejmech.2021.113467 HEL 1
33894564 10.1016/j.ejmech.2021.113467 Influenza A virus 1
33894564 10.1016/j.ejmech.2021.113467 MDCK 1
33894564 10.1016/j.ejmech.2021.113467 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine