Compound Detail
CHEMBL4226945
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Basic Information
| ChEMBL ID | CHEMBL4226945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQMAHRYYHFXPBK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.0
MW (Da)
4.14
ALogP
6
HBA
1
HBD
37.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.72 | 5.68 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 1900.0 | nM | 5.72 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
| Amyloid-beta precursor protein | IC50 | = | 2300.0 | nM | 5.64 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29559198 | 10.1016/j.bmc.2018.03.016 | Amyloid-beta precursor protein | 4 |
| 29559198 | 10.1016/j.bmc.2018.03.016 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine