Compound Detail
CHEMBL2042124
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CNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCOCC(COCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)OCCF)nc2)cc1
Basic Information
| ChEMBL ID | CHEMBL2042124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMAJVVMFXGCMHD-GGWOSOGESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
907.1
MW (Da)
6.85
ALogP
15
HBA
2
HBD
151.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
39
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 3.24 | nM | 8.49 | Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease... | 22011144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22011144 | 10.1021/jm2009106 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine