Compound Detail
CHEMBL2069863
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Basic Information
| ChEMBL ID | CHEMBL2069863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKXFXEOJQBAIMD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.49
ALogP
4
HBA
0
HBD
28.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.05 | 7.05 | 88.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain hom... | 22850210 |
| Unchecked | Ki | = | 88.1 | nM | 7.05 | Displacement of [3H]DTG from sigma2 receptor in rat liver homogenate in presence... | 22850210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22850210 | 10.1016/j.bmcl.2012.07.026 | Unchecked | 2 |
| 22850210 | 10.1016/j.bmcl.2012.07.026 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine