Compound Detail
CHEMBL254884
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
C=CC[C@H](OC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C
Basic Information
| ChEMBL ID | CHEMBL254884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZTLEADSZXAUQZ-FJTTXLAGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
1.09
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuraminidase CHEMBL3377 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Neuraminidase CHEMBL6135 | Ki | 7.76 | 7.76 | 17.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuraminidase | Ki | = | 0.67 | nM | 9.17 | Inhibition of influenza B/Memphis/3/89 neuraminidase | 18242993 |
| Neuraminidase | Ki | = | 17.3 | nM | 7.76 | Inhibition of influenza A/N1/PR/8/34 neuraminidase | 18242993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18242993 | 10.1016/j.bmcl.2008.01.048 | Neuraminidase | 2 |
Data from ChEMBL 36 via Core Engine