Compound Detail
CHEMBL1800539
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Basic Information
| ChEMBL ID | CHEMBL1800539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOAKOIFWCFCYHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
3.94
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7.7 | nM | 8.11 | Displacement of [125I]IMPY from amyloid beta (1-42) after 2 hrs by gamma countin... | 21684159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21684159 | 10.1016/j.bmcl.2011.05.079 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine