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

CHEMBL1767358

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
NCC(=O)N1C(c2ccccc2C(=O)O)SC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767358
Phase Preclinical
Structure Type MOL
InChI Key HWTRQKYXGTVRJH-FTNKSUMCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
0.37
ALogP
5
HBA
3
HBD
120.9
PSA (Ų)
0.73
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 C13H14N2O5S
MW 310.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuraminidase
CHEMBL6135
 IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuraminidase IC50 = 280.0 nM 6.55 Inhibition of influenza A virus neuraminidase assessed as cleavage of MUNANA sub... 21382719

Literature References

PubMed DOI Target Context # Activities
21382719 10.1016/j.bmc.2011.02.019 Neuraminidase 1

Data from ChEMBL 36 via Core Engine