Compound Detail
CHEMBL3218979
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Basic Information
| ChEMBL ID | CHEMBL3218979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHELECRLGYDVEV-MSOLQXFVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.22
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.8 | 6.7667 | 158.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]-pentazocine from human recombinant sigma-1 receptor express... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]-pentazocine from human recombinant sigma-1 receptor express... | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 199.53 | nM | 6.7 | Displacement of [3H]-pentazocine from human recombinant sigma-1 receptor express... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00010A | No relevant target | 6 |
| - | 10.1039/C1MD00010A | Unchecked | 5 |
| - | 10.1039/C1MD00010A | Sigma non-opioid intracellular receptor 1 | 3 |
| - | 10.1039/C1MD00010A | Liver microsome | 3 |
| - | 10.1039/C1MD00010A | Adrenergic receptor alpha-1 | 2 |
| - | 10.1039/C1MD00010A | 5-hydroxytryptamine receptor 2A | 2 |
| - | 10.1039/C1MD00010A | Alpha-2C adrenergic receptor | 1 |
| - | 10.1039/C1MD00010A | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine