Compound Detail
CHEMBL4513568
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COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4c(OC)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL4513568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQOXLMURYUCRGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
580.5
MW (Da)
6.04
ALogP
10
HBA
3
HBD
148.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.34 | 4.34 | 45600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 45600.0 | nM | 4.34 | 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