Compound Detail
CHEMBL4069719
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Basic Information
| ChEMBL ID | CHEMBL4069719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGMCIJNZJMRLKE-XMSQKQJNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.9
MW (Da)
3.67
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.35 | 6.35 | 445.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 445.0 | nM | 6.35 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 29220177 |
| Unchecked | Ki | = | 650.0 | nM | 6.19 | Displacement of [3H]-(+)-DTG from sigma2 receptor in guinea pig brain membrane a... | 29220177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29220177 | 10.1021/acs.jmedchem.7b01584 | Unchecked | 2 |
| 29220177 | 10.1021/acs.jmedchem.7b01584 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine