Compound Detail
CHEMBL5087695
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Basic Information
| ChEMBL ID | CHEMBL5087695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAQJTKLSILUVRF-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.41
ALogP
4
HBA
1
HBD
85.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Kd | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Kd | = | 10.0 | nM | 8.0 | Binding affinity to recombinant human alpha-syn aggregates assessed as dissociat... | 34624824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34624824 | 10.1016/j.ejmech.2021.113887 | ADMET | 4 |
| 34624824 | 10.1016/j.ejmech.2021.113887 | Unchecked | 3 |
| 34624824 | 10.1016/j.ejmech.2021.113887 | Alpha-synuclein | 2 |
Data from ChEMBL 36 via Core Engine