Compound Detail
CHEMBL55536
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Basic Information
| ChEMBL ID | CHEMBL55536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLTHVXHFUZWNAX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
4.48
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.8 | 8.55 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 1.6 | nM | 8.8 | Inhibition constant for amyloid beta compared to [125I]TZDM | 11384236 |
| Amyloid-beta precursor protein | Ki | = | 5.0 | nM | 8.3 | Inhibition constant for amyloid beta compared to [125I]TZDM | 11384236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384236 | 10.1021/jm010045q | Amyloid-beta precursor protein | 4 |
Data from ChEMBL 36 via Core Engine