Compound Detail
CHEMBL599471
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Basic Information
| ChEMBL ID | CHEMBL599471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWIARAQZLULYPG-CKRIYKSPSA-N |
| Parent Compound | CHEMBL381642 |
| Active Moiety | CHEMBL381642 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
3.60
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.92 | 8.4533 | 1.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.2 | nM | 8.92 | Binding affinity to beta-amyloid plaques | 20036557 |
| Unchecked | Ki | = | 6.0 | nM | 8.22 | Binding affinity to beta-amyloid | 23047223 |
| Unchecked | Ki | = | 6.0 | nM | 8.22 | Binding affinity to amyloid beta (1-42) aggregates | 22236086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22236086 | 10.1021/jm201400q | Brain | 2 |
| 20036557 | 10.1016/j.bmc.2009.12.023 | Unchecked | 1 |
| 23047223 | 10.1016/j.ejmech.2012.08.031 | Unchecked | 1 |
| 22236086 | 10.1021/jm201400q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine