Compound Detail
CHEMBL3314331
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Basic Information
| ChEMBL ID | CHEMBL3314331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTTSRRHPLHQQDB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.0
MW (Da)
4.47
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 7.66 | 7.66 | 21.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 21.9 | nM | 7.66 | Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from amyloid be... | 24936678 |
| Amyloid-beta precursor protein | Ki | = | 21.88 | nM | 7.66 | Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from amyloid be... | 24936678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24936678 | 10.1021/jm5004396 | Amyloid-beta precursor protein | 2 |
Data from ChEMBL 36 via Core Engine