Compound Detail
CHEMBL2063798
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Basic Information
| ChEMBL ID | CHEMBL2063798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHKVPEDYAXRJJK-LZCJLJQNSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.2
MW (Da)
5.13
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Ki | 7.24 | 7.24 | 57.9 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 6.62 | 6.62 | 241.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Ki | = | 57.9 | nM | 7.24 | Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE... | 22789706 |
| Alpha-synuclein | IC50 | = | 241.3 | nM | 6.62 | Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE... | 22789706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22789706 | 10.1016/j.bmc.2012.06.023 | Alpha-synuclein | 4 |
Data from ChEMBL 36 via Core Engine