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Compound Detail

CHEMBL2041287

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COc1ccc(NC(=O)N[C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041287
Phase Preclinical
Structure Type MOL
InChI Key QKEWELRDDQQSNM-IHWGESPNSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
-1.23
ALogP
8
HBA
7
HBD
186.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N3O9
MW 439.42
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.24

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22795831 10.1016/j.ejmech.2012.06.033 Neuraminidase 2
22795831 10.1016/j.ejmech.2012.06.033 Influenza A virus 1

Data from ChEMBL 36 via Core Engine