Compound Detail
CHEMBL473546
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Basic Information
| ChEMBL ID | CHEMBL473546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVKOBSALRKSTPO-MUCZFFFMSA-N |
| Parent Compound | CHEMBL1186644 |
| Active Moiety | CHEMBL1186644 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.11
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.66 | 6.66 | 219.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 4.3 | nM | 8.37 | Displacement of [3H]vesamicol from human vesicular acetylcholine transporter exp... | 19203271 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 219.6 | nM | 6.66 | Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain mem... | 19203271 |
| Unchecked | Ki | = | 320.0 | nM | 6.5 | Displacement of [3H]DTG from sigma2 receptor in rat liver membrane | 19203271 |
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 |
Data from ChEMBL 36 via Core Engine