Compound Detail
CHEMBL473548
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Basic Information
| ChEMBL ID | CHEMBL473548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCMBHNGPEVEVOO-NHCUHLMSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
2.69
ALogP
4
HBA
2
HBD
66.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 8.78 | 8.78 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 1.68 | nM | 8.78 | Displacement of [3H]vesamicol from human vesicular acetylcholine transporter exp... | 19203271 |
| Vesicular acetylcholine transporter | Ki | = | 1.68 | nM | 8.78 | Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 cell me... | 23802889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19203271 | 10.1021/jm8012344 | Unchecked | 3 |
| 19203271 | 10.1021/jm8012344 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19203271 | 10.1021/jm8012344 | Vesicular acetylcholine transporter | 1 |
| 23802889 | 10.1021/jm400664x | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine