Compound Detail
CHEMBL94733
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Basic Information
| ChEMBL ID | CHEMBL94733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUPDJGDKEAPXHU-HZPDHXFCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
260.4
MW (Da)
1.59
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 2900.0 | nM | 5.54 | Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT) | 10425095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425095 | 10.1021/jm980560x | Sigma non-opioid intracellular receptor 1 | 2 |
| 10425095 | 10.1021/jm980560x | Vesicular acetylcholine transporter | 1 |
Data from ChEMBL 36 via Core Engine