Compound Detail
CHEMBL247728
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Basic Information
| ChEMBL ID | CHEMBL247728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRUSEVBHUMRXRT-NXZHAISVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.92
ALogP
6
HBA
2
HBD
75.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 1900.0 | nM | 5.72 | 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