Compound Detail
CHEMBL78621
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Basic Information
| ChEMBL ID | CHEMBL78621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBKXGNZXXSHZQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.38
ALogP
3
HBA
0
HBD
20.5
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 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 6.62 | 6.62 | 242.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 242.0 | nM | 6.62 | Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggrega... | 12519062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12519062 | 10.1021/jm020351j | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine