Compound Detail
CHEMBL1629795
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Basic Information
| ChEMBL ID | CHEMBL1629795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGSIAWJVXJZZOI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
347.9
MW (Da)
3.93
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Alpha-synuclein CHEMBL6152 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of equine serum BuChE by Ellman's method | 20926162 |
| Alpha-synuclein | IC50 | = | 26000.0 | nM | 4.58 | Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE... | 22789706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20926162 | 10.1016/j.ejmech.2010.09.039 | SH-SY5Y | 10 |
| 22789706 | 10.1016/j.bmc.2012.06.023 | Alpha-synuclein | 2 |
| 20926162 | 10.1016/j.ejmech.2010.09.039 | Acetylcholinesterase | 1 |
| 20926162 | 10.1016/j.ejmech.2010.09.039 | Cholinesterase | 1 |
| 20926162 | 10.1016/j.ejmech.2010.09.039 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine