Compound Detail
CHEMBL4225563
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Basic Information
| ChEMBL ID | CHEMBL4225563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAFMRDKEWWXTBK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.8
MW (Da)
4.41
ALogP
7
HBA
3
HBD
55.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.18 | 5.14 | 6600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 6600.0 | nM | 5.18 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
| Amyloid-beta precursor protein | IC50 | = | 7900.0 | nM | 5.1 | 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