Compound Detail
CHEMBL2170227
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Basic Information
| ChEMBL ID | CHEMBL2170227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKGSRQAKFXSURB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
4.35
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.68 | 6.68 | 209.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 5.5 | nM | 8.26 | Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HE... | 22784008 |
| Unchecked | Ki | = | 209.0 | nM | 6.68 | Displacement of [3H]di-o-tolylguanidine from sigma 2 receptor in guinea pig brai... | 22784008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22784008 | 10.1021/jm3007323 | Unchecked | 1 |
| 22784008 | 10.1021/jm3007323 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine