Compound Detail
CHEMBL222444
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Basic Information
| ChEMBL ID | CHEMBL222444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYUHVUXYQATEMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
2.24
ALogP
7
HBA
0
HBD
88.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.11 | 6.11 | 769.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 769.0 | nM | 6.11 | Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptor | 17328523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17328523 | 10.1021/jm0611197 | Sigma non-opioid intracellular receptor 1 | 1 |
| 17328523 | 10.1021/jm0611197 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine