Compound Detail
CHEMBL462659
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Basic Information
| ChEMBL ID | CHEMBL462659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQNQNDPQJNNSPW-DHIUTWEWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
4.13
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 9.11 | 9.11 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 0.77 | nM | 9.11 | Displacement of [3H]vesamicol from human vesicular acetylcholine transporter exp... | 19203271 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19203271 | 10.1021/jm8012344 | Vesicular acetylcholine transporter | 1 |
| 19203271 | 10.1021/jm8012344 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19203271 | 10.1021/jm8012344 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine