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Compound Detail

CHEMBL1956715

OSELTAMIVIR POTTASIUM CARBOXYLATE
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CCC(CC)O[C@@H]1C=C(C(=O)[O-])C[C@H](N)[C@H]1NC(C)=O.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956715
Name OSELTAMIVIR POTTASIUM CARBOXYLATE
Phase Preclinical
Structure Type MOL
InChI Key MGDJOHGESXQWMU-LUHWTZLKSA-M
Parent Compound CHEMBL674
Active Moiety CHEMBL674
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
0.81
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23KN2O4
MW 322.45
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.43

Activity Summary

IC50 2 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuraminidase
CHEMBL6135
 IC50 10.0 8.705 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuraminidase IC50 = 0.1 nM 10.0 Inhibition of Influenza A virus H7N3 N3 neuraminidase expressed in baculovirus u... 22342267
Neuraminidase IC50 = 39.3 nM 7.41 Inhibition of Influenza A virus H7N1 N1 neuraminidase expressed in baculovirus u... 22342267

Literature References

PubMed DOI Target Context # Activities
22342267 10.1016/j.bmc.2012.01.026 Neuraminidase 2

Data from ChEMBL 36 via Core Engine