Compound Detail
CHEMBL3233530
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Basic Information
| ChEMBL ID | CHEMBL3233530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZAWKCIVGVDWDQ-QHCPKHFHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.6
MW (Da)
4.29
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.8 | 7.69 | 16.0 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain c... | 24617836 |
| Unchecked | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]-DTG from sigma-2 receptor in human RT4 cell membranes after... | 24617836 |
| Unchecked | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]-DTG from sigma-2 receptor in rat liver homogenates after 12... | 24617836 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cel... | 24617836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24617836 | 10.1021/jm401707t | Unchecked | 3 |
| 24617836 | 10.1021/jm401707t | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine