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Compound Detail

CHEMBL63465

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CC(=O)NC1C(O)C=C(C(=O)O)OC1OC(C)C

Basic Information

ChEMBL ID CHEMBL63465
Phase Preclinical
Structure Type MOL
InChI Key QWEIYNCSFWAONZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
-0.40
ALogP
5
HBA
3
HBD
105.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17NO6
MW 259.26
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.96

Activity Summary

Ki 2 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 2700.0 nM 5.57 Inhibitory activity against influenza virus A(N9) sialidase 10450982

Literature References

PubMed DOI Target Context # Activities
10450982 10.1016/s0960-894x(99)00331-5 Unchecked 6

Data from ChEMBL 36 via Core Engine