Compound Detail
CHEMBL5435474
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COc1cc(/C=C/C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL5435474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTUFVRSZXSDNLW-MKICQXMISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
5.54
ALogP
6
HBA
3
HBD
108.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | IC50 | = | 610.0 | nM | 6.21 | Inhibition of alpha-Synuclein (unknown origin) aggregation incubated for 72 hrs ... | 37976808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976808 | 10.1016/j.bmc.2023.117529 | Alpha-synuclein | 14 |
Data from ChEMBL 36 via Core Engine