Compound Detail
CHEMBL55317
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Basic Information
| ChEMBL ID | CHEMBL55317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQOMLTLQWBDVRA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
251.4
MW (Da)
3.38
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.56 | 7.56 | 27.4 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.24 | 7.24 | 58.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 6.93 | 6.93 | 117.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 27.4 | nM | 7.56 | Inhibition of [3H]DTG binding to Sigma opioid receptor | 1648139 |
| Sigma intracellular receptor 2 | Ki | = | 38.0 | nM | 7.42 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated f... | 32070917 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 58.0 | nM | 7.24 | Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex m... | 32070917 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 117.0 | nM | 6.93 | Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell ... | 32070917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1648139 | 10.1021/jm00110a015 | Sigma non-opioid intracellular receptor 1 | 1 |
| 32070917 | 10.1016/j.ejmech.2020.112138 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 32070917 | 10.1016/j.ejmech.2020.112138 | Sigma non-opioid intracellular receptor 1 | 1 |
| 32070917 | 10.1016/j.ejmech.2020.112138 | Sigma intracellular receptor 2 | 1 |
| 32070917 | 10.1016/j.ejmech.2020.112138 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine