Compound Detail
CHEMBL245476
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Basic Information
| ChEMBL ID | CHEMBL245476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLYXEADJQADYCF-KQQUZDAGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.4
MW (Da)
6.82
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of amyloid beta 42 fibril formation by thioflavin T assay | 17270435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17270435 | 10.1016/j.bmcl.2006.10.090 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine