Compound Detail
CHEMBL2063786
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Basic Information
| ChEMBL ID | CHEMBL2063786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTFZXCNEWDUDNS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.78
ALogP
4
HBA
1
HBD
45.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.84
Ki 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Ki | 6.46 | 6.46 | 346.0 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Ki | = | 346.0 | nM | 6.46 | Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE... | 22789706 |
| Alpha-synuclein | IC50 | = | 1440.0 | nM | 5.84 | 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 | 2 |
Data from ChEMBL 36 via Core Engine