Compound Detail
CHEMBL4075833
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Basic Information
| ChEMBL ID | CHEMBL4075833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXAJGNRGVKYBOB-NXZHAISVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.30
ALogP
6
HBA
4
HBD
115.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-synuclein CHEMBL6152 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-synuclein | IC50 | = | 640.0 | nM | 6.19 | Inhibition of recombinant human Alpha-synuclein aggregation expressed in Escheri... | 35728509 |
| Unchecked | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of alpha-glucosidase (unknown origin) using PNP glycoside as substrat... | 28242551 |
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 |
| 28242551 | 10.1016/j.ejmech.2017.02.007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine