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Compound Detail

CHEMBL4450376

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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(=O)C(C)CCl)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450376
Phase Preclinical
Structure Type MOL
InChI Key ZZVZUPDFFVRSLU-QBQPCYGGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
3.03
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28ClNO4
MW 381.90
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.27

Activity Summary

IC50 1 meas.

Literature References

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