Compound Detail
CHEMBL4752086
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Basic Information
| ChEMBL ID | CHEMBL4752086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFLQMYNVHRRSCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.2
MW (Da)
2.02
ALogP
5
HBA
5
HBD
113.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 68.0 | nM | 7.17 | Inhibition of biotinylated 5-(4-((Z)-3-Carboxy-3-hydroxyacryloyl)-4-(4-chloroben... | 32883638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883638 | 10.1016/j.ejmech.2020.112754 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine