Compound Detail
CHEMBL5171920
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COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL5171920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYVDZWHAOKTDLF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL5221257 |
| Active Moiety | CHEMBL5221257 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
5.06
ALogP
4
HBA
1
HBD
47.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Kd | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Kd | = | 92000.0 | nM | 4.04 | Binding affinity to amyloid beta (1 to 40) (unknown origin) fibrils | 35759679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35759679 | 10.1021/acs.jmedchem.1c01619 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine