Compound Detail
CHEMBL4175947
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Basic Information
| ChEMBL ID | CHEMBL4175947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIPCEALSEKXIDY-VZXIVJASSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
4.32
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.3 | nM | 8.2 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 30350997 |
| Sigma intracellular receptor 2 | Ki | = | 62.0 | nM | 7.21 | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membr... | 30350997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30350997 | 10.1021/acs.jmedchem.8b01183 | Sigma non-opioid intracellular receptor 1 | 1 |
| 30350997 | 10.1021/acs.jmedchem.8b01183 | Sigma intracellular receptor 2 | 1 |
| 30350997 | 10.1021/acs.jmedchem.8b01183 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine