Compound Detail
CHEMBL3236516
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O=C(Oc1c(OC(=O)c2ccc(O)cc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL3236516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJRLDGUCHQKHAL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.5
MW (Da)
5.69
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.82 | 5.71 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 3.5 | nM | 8.46 | Inhibition of TNF-alpha production in rat RBL2H3 cells | 24679673 |
| Sentrin-specific protease 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human SENP1 catalytic domain assessed as reduction in deSUMOylatio... | 35939992 |
| Sentrin-specific protease 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human full-length recombinant SENP1 | 35939992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939992 | 10.1016/j.ejmech.2022.114650 | Sentrin-specific protease 1 | 2 |
| 24679673 | 10.1016/j.bmc.2014.02.058 | RBL-2H3 | 1 |
Data from ChEMBL 36 via Core Engine