Compound Detail
CHEMBL1160030
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Basic Information
| ChEMBL ID | CHEMBL1160030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTFZXNJFEIZTJR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.83
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.06
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | Kd | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | Kd | = | 8800.0 | nM | 5.06 | Binding affinity to human recombinant Alpha-synuclein assessed as dissociation c... | 36966976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7310833 | 10.1021/jm00144a035 | Choline O-acetyltransferase | 1 |
| 36966976 | 10.1016/j.bmcl.2023.129257 | Alpha-synuclein | 1 |
Data from ChEMBL 36 via Core Engine