Compound Detail
CHEMBL2170054
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 | CHEMBL2170054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAVDCIMEFGGWAD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
4.08
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.02 | 8.01 | 9.5 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.04 | 7.04 | 90.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.5 | nM | 8.02 | Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HE... | 22784008 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in H... | 25658964 |
| Unchecked | Ki | = | 90.5 | nM | 7.04 | Displacement of [3H]di-o-tolylguanidine from sigma 2 receptor in guinea pig brai... | 22784008 |
| Unchecked | Ki | = | 91.0 | nM | 7.04 | Displacement of [3H]-DTG from sigma 2 receptor in guinea pig brain membrane afte... | 25658964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22784008 | 10.1021/jm3007323 | Unchecked | 1 |
| 22784008 | 10.1021/jm3007323 | Sigma non-opioid intracellular receptor 1 | 1 |
| 25658964 | 10.1021/jm501920g | Sigma non-opioid intracellular receptor 1 | 1 |
| 25658964 | 10.1021/jm501920g | Unchecked | 1 |
| 25658964 | 10.1021/jm501920g | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine