Compound Detail
CHEMBL4217195
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 | CHEMBL4217195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADQMXWXMBYWIKU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.5
MW (Da)
4.30
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.2 | nM | 8.66 | Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B receptor exp... | 28704758 |
| Sigma intracellular receptor 2 | Ki | = | 55.0 | nM | 7.26 | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 120 mi... | 28704758 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 82.0 | nM | 7.09 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 28704758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Unchecked | 7 |
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28704758 | 10.1016/j.ejmech.2017.06.068 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine