Compound Detail
CHEMBL216553
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Basic Information
| ChEMBL ID | CHEMBL216553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXOLGHXMDJLGDO-ONEGZZNKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.1
MW (Da)
2.61
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 7.7 | 7.57 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 19.97 | nM | 7.7 | Displacement of [125I]IMSB from beta amyloid protein 40 | 17004725 |
| Amyloid-beta precursor protein | Ki | = | 36.6 | nM | 7.44 | Displacement of [125I]IMPY from beta amyloid protein 40 | 17004725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17004725 | 10.1021/jm0607193 | Amyloid-beta precursor protein | 2 |
Data from ChEMBL 36 via Core Engine