Compound Detail
CHEMBL140607
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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(N)N
Basic Information
| ChEMBL ID | CHEMBL140607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDDUSOFDSUKVSP-UFGQHTETSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
-4.27
ALogP
9
HBA
8
HBD
200.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibitory activity against neuraminidase | 14521411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521411 | 10.1021/jm0302593 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine