Compound Detail
CHEMBL222236
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Basic Information
| ChEMBL ID | CHEMBL222236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYCUTALELYDXDC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
4.07
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.88 | 7.88 | 13.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.2 | nM | 8.66 | Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptor | 17328523 |
| Unchecked | Ki | = | 13.2 | nM | 7.88 | Displacement of [3H]DTG rom guinea pig brain sigma 2 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