Compound Detail
CHEMBL222445
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL222445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPNZBHKTKPGITL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
3.75
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1.7 | nM | 8.77 | Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptor | 17328523 |
| Unchecked | Ki | = | 19.0 | nM | 7.72 | 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