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Compound Detail

CHEMBL5406414

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Cc1ccc(S(=O)(=O)N[C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5406414
Phase Preclinical
Structure Type MOL
InChI Key SMVAVPKRUHWYQI-PWRGDLIESA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

598.5
MW (Da)
0.04
ALogP
8
HBA
6
HBD
182.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21F7N2O9S
MW 598.45
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness -0.09

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
37849540 10.1021/acsmedchemlett.3c00291 Unchecked 3
37849540 10.1021/acsmedchemlett.3c00291 Hemagglutinin-neuraminidase 1

Data from ChEMBL 36 via Core Engine