Compound Detail
CHEMBL4466227
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Basic Information
| ChEMBL ID | CHEMBL4466227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJGARBUOELYXKL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.41
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.46 | 6.46 | 348.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.28 | 6.28 | 524.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 31129453 |
| Unchecked | Ki | = | 348.0 | nM | 6.46 | Displacement of [3H] ifenprodil from GluN2B/GluN1a (unknown origin) expressed in... | 31129453 |
| Sigma intracellular receptor 2 | Ki | = | 524.0 | nM | 6.28 | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membr... | 31129453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31129453 | 10.1016/j.ejmech.2019.05.034 | Unchecked | 2 |
| 31129453 | 10.1016/j.ejmech.2019.05.034 | Sigma non-opioid intracellular receptor 1 | 1 |
| 31129453 | 10.1016/j.ejmech.2019.05.034 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine