Compound Detail
CHEMBL452172
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Basic Information
| ChEMBL ID | CHEMBL452172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHRKSLQLVPJWDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.91
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine-binding protein CHEMBL6084 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Ki | = | 125.89 | nM | 6.9 | Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP | 19331415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20031418 | 10.1016/j.bmc.2009.11.060 | Unchecked | 2 |
| 19331415 | 10.1021/jm801400g | Acetylcholine-binding protein | 1 |
Data from ChEMBL 36 via Core Engine