Compound Detail
CHEMBL172155
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 | CHEMBL172155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POQDXIFVWVZVML-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.09
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.85
IC50 2 meas. best 6.49
EC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.85 | 6.85 | 141.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.62 | 6.62 | 241.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | IC50 | 6.49 | 6.49 | 322.1 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.31 | 6.31 | 490.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.31 | 6.31 | 489.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.24 | 6.24 | 572.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 141.0 | nM | 6.85 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 35961067 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 241.0 | nM | 6.62 | Antagonist activity at sigma1 receptor (unknown origin) | 38015878 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 322.1 | nM | 6.49 | Displacement of [3H]pentazocine from LAL/HA/BR guinea pig brain sigma1 receptor ... | 31391893 |
| Mu-type opioid receptor | EC50 | = | 490.0 | nM | 6.31 | Agonist activity at mu-opioid receptor (unknown origin) | 38015878 |
| Mu-type opioid receptor | IC50 | = | 489.7 | nM | 6.31 | Displacement of [3H]DAMGO from rat brain mu opioid receptor incubated for 60 min... | 31391893 |
| Mu-type opioid receptor | Ki | = | 572.2 | nM | 6.24 | Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes inc... | 35961067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31391893 | 10.1039/C9MD00222G | Sigma non-opioid intracellular receptor 1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 7190616 | 10.1021/jm00182a016 | Mus musculus | 1 |
| 31391893 | 10.1039/C9MD00222G | Mu-type opioid receptor | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Sigma non-opioid intracellular receptor 1 | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Mu-type opioid receptor | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Unchecked | 1 |
| 34175542 | 10.1016/j.ejmech.2021.113658 | Mus musculus | 1 |
| 38015878 | 10.1021/acs.jmedchem.3c01637 | Mu-type opioid receptor | 1 |
| 38015878 | 10.1021/acs.jmedchem.3c01637 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine