Compound Detail
CHEMBL95701
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Basic Information
| ChEMBL ID | CHEMBL95701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBDLIWLUTNCDTQ-WMCIRHBQSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
4.42
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular acetylcholine transporter CHEMBL4767 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.9 | 6.9 | 124.7 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.44 | 6.44 | 363.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular acetylcholine transporter | Ki | = | 0.4 | nM | 9.4 | Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT) | 10425095 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 124.7 | nM | 6.9 | Binding affinity against Sigma opioid receptor type 1 in guinea pig brain membra... | 10425095 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 363.0 | nM | 6.44 | Binding affinity against Sigma opioid receptor type 2 in rat liver membranes usi... | 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 |
| 18324757 | 10.1021/jm700961r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine