Compound Detail
CHEMBL1829569
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Basic Information
| ChEMBL ID | CHEMBL1829569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXQHKTGDWINRKN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.92
ALogP
6
HBA
0
HBD
48.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.03 | 6.03 | 925.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.5 | nM | 8.82 | Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after... | 21859078 |
| Unchecked | Ki | = | 925.0 | nM | 6.03 | Displacement of [3H]ditolylguanidine from rat liver sigma 2 receptor by scintill... | 21859078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21859078 | 10.1021/jm200585k | Unchecked | 3 |
| 21859078 | 10.1021/jm200585k | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine