Compound Detail
CHEMBL437134
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Basic Information
| ChEMBL ID | CHEMBL437134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJFUOTLAXRJGLS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
3.37
ALogP
4
HBA
2
HBD
53.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucuronidase CHEMBL4082 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucuronidase | IC50 | = | 94000.0 | nM | 4.03 | 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 | Unchecked | 2 |
| 16392802 | 10.1021/jm050942k | MCF7 | 1 |
| 16392802 | 10.1021/jm050942k | MDA-MB-468 | 1 |
| 16392802 | 10.1021/jm050942k | KM12 | 1 |
| 16392802 | 10.1021/jm050942k | HCC 2998 | 1 |
| 21397499 | 10.1016/j.bmcl.2011.02.064 | Tyrosinase | 1 |
| 21684753 | 10.1016/j.bmc.2011.05.052 | Beta-glucuronidase | 1 |
| 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