Compound Detail
CHEMBL1808311
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Basic Information
| ChEMBL ID | CHEMBL1808311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFMCXBGEUIDIID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
3.08
ALogP
5
HBA
3
HBD
73.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL4082 | IC50 | 5.65 | 5.65 | 2260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 2260.0 | nM | 5.65 | Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formatio... | 21684753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21684753 | 10.1016/j.bmc.2011.05.052 | Beta-glucuronidase | 2 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | Unchecked | 2 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | 3T3-L1 | 1 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | CC-1 | 1 |
Data from ChEMBL 36 via Core Engine