Compound Detail
CHEMBL4216511
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Basic Information
| ChEMBL ID | CHEMBL4216511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGIZAQISLCMBNX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.99
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 67.0 | nM | 7.17 | Displacement of [3H]ifenprodil from recombinant human GluN1A/GluN2B receptor exp... | 28704758 |
| Sigma intracellular receptor 2 | Ki | = | 119.0 | nM | 6.92 | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 120 mi... | 28704758 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 460.0 | nM | 6.34 | 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 | 4 |
| 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