Compound Detail
CHEMBL4751929
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CCS[C@]1(C(=O)O)C=C[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
Basic Information
| ChEMBL ID | CHEMBL4751929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDFAUPGSDSWARE-CJJWORHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
-1.31
ALogP
7
HBA
5
HBD
136.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Newcastle disease virus neuraminidase using 4-MUNeu5Ac as substrat... | 32616179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32616179 | 10.1016/j.bmc.2020.115563 | Sialidase-3 | 1 |
| 32616179 | 10.1016/j.bmc.2020.115563 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine