Compound Detail
CHEMBL1672890
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Basic Information
| ChEMBL ID | CHEMBL1672890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIYUSRCHXBJSRV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.29
ALogP
5
HBA
0
HBD
29.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.23 | 7.23 | 58.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 58.6 | nM | 7.23 | Displacement of [3H]BTA-1 from amyloid beta 1 to 40 by competitive binding assay | 21458990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21275403 | 10.1021/jm101129a | Amyloid-beta precursor protein | 2 |
| 21275403 | 10.1021/jm101129a | Brain | 2 |
| 21275403 | 10.1021/jm101129a | No relevant target | 1 |
| 21458990 | 10.1016/j.bmcl.2011.03.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine