Compound Detail
CHEMBL4851087
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Basic Information
| ChEMBL ID | CHEMBL4851087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEYLTJJHPIJFSL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.35
ALogP
6
HBA
0
HBD
56.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.29 | 6.29 | 508.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 508.0 | nM | 6.29 | Inhibition of Escherichia coli beta-glucosidase expressed in Escherichia coli BL... | 33652353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33652353 | 10.1016/j.ejmech.2021.113322 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine