Compound Detail
CHEMBL4449738
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COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12
Basic Information
| ChEMBL ID | CHEMBL4449738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQBWKCUMPIMBDA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
5.44
ALogP
10
HBA
5
HBD
170.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation ... | 31138471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31138471 | 10.1016/j.bmcl.2019.05.020 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine