Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL311273

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCC(CC)O[C@@H]1C=C(C(=O)O)[C@@H](C)[C@H](N)[C@H]1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311273
Phase Preclinical
Structure Type MOL
InChI Key MYLKRBMLLOGEBS-NGSVMEPUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.05
ALogP
4
HBA
3
HBD
101.7
PSA (Ų)
0.68
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 C15H26N2O4
MW 298.38
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.06

Activity Summary

IC50 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuraminidase
CHEMBL2051
 IC50 5.82 5.82 1500.0 1
Neuraminidase
CHEMBL3377
 IC50 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuraminidase IC50 = 1500.0 nM 5.82 Inhibitory activity against influenza A neuraminidase from influenza A/PR/8/34 (... 9651151
Neuraminidase IC50 = 36000.0 nM 4.44 Inhibitory activity against influenza B neuraminidase from influenza virus neura... 9651151

Literature References

PubMed DOI Target Context # Activities
9651151 10.1021/jm980162u Neuraminidase 2

Data from ChEMBL 36 via Core Engine