Compound Detail
CHEMBL5396732
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COc1cc(/C=C/C(=O)c2cc(O)cc(O)c2)c(OC)cc1/C=C/C(=O)c1cc(O)cc(O)c1
Basic Information
| ChEMBL ID | CHEMBL5396732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOVIBYVGPYMHKP-GGWOSOGESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
4.32
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | IC50 | 5.75 | 5.75 | 1790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | IC50 | = | 1790.0 | nM | 5.75 | Inhibition of recombinant human Alpha-synuclein aggregation expressed in Escheri... | 35728509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35728509 | 10.1016/j.ejmech.2022.114529 | Alpha-synuclein | 14 |
| 35728509 | 10.1016/j.ejmech.2022.114529 | ADMET | 3 |
Data from ChEMBL 36 via Core Engine