Compound Detail
CHEMBL1829659
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Basic Information
| ChEMBL ID | CHEMBL1829659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAOJXFGRVRYMTH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
5.07
ALogP
5
HBA
0
HBD
39.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.68 | 6.68 | 209.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.9 | nM | 8.54 | Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after... | 21859078 |
| Unchecked | Ki | = | 209.0 | nM | 6.68 | 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 | 7 |
| 21859078 | 10.1021/jm200585k | Sigma non-opioid intracellular receptor 1 | 1 |
| 21859078 | 10.1021/jm200585k | Alpha-1A adrenergic receptor | 1 |
| 21859078 | 10.1021/jm200585k | Alpha-2A adrenergic receptor | 1 |
| 21859078 | 10.1021/jm200585k | Sodium-dependent serotonin transporter | 1 |
| 21859078 | 10.1021/jm200585k | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine