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Compound Detail

CHEMBL4483331

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C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@H]2C(=C(C)C(=O)[C@H]2NC(C)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4483331
Phase Preclinical
Structure Type MOL
InChI Key BADKQTANWBDFLP-VCPCVOAUSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.17
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25NO4
MW 319.40
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.37

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
31439378 10.1016/j.bmcl.2019.08.009 Unchecked 2
31439378 10.1016/j.bmcl.2019.08.009 Influenza B virus 1
31439378 10.1016/j.bmcl.2019.08.009 Influenza A virus H3N2 1
31439378 10.1016/j.bmcl.2019.08.009 Influenza A virus 1
31439378 10.1016/j.bmcl.2019.08.009 MDCK 1

Data from ChEMBL 36 via Core Engine