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

CHEMBL1161289

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
CNC(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161289
Phase Preclinical
Structure Type MOL
InChI Key BYPNLSIVLZHYFY-UIISKDMLSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
-2.84
ALogP
6
HBA
5
HBD
133.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H17N3O5
MW 259.26
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.68

Activity Summary

IC50 1 meas.
Ki 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuraminidase
CHEMBL2051
 Ki 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuraminidase Ki = 24000.0 nM 4.62 Neuraminidase binding affinity in Influenza A 10602699

Literature References

PubMed DOI Target Context # Activities
10602699 10.1021/jm990105g Unchecked 1
10602699 10.1021/jm990105g Neuraminidase 1

Data from ChEMBL 36 via Core Engine