Compound Detail
CHEMBL4287755
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Basic Information
| ChEMBL ID | CHEMBL4287755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBIAJANCYGYOLK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
4.04
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 6.73 | 6.73 | 186.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.57 | 6.57 | 271.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 41.0 | nM | 7.39 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain c... | 29289890 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 186.0 | nM | 6.73 | Displacement of [3H]Ifenprodil from GluN2B receptor (unknown origin) expressed i... | 29289890 |
| Sigma intracellular receptor 2 | Ki | = | 271.0 | nM | 6.57 | Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver memb... | 29289890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29289890 | 10.1016/j.ejmech.2017.12.054 | Unchecked | 3 |
| 29289890 | 10.1016/j.ejmech.2017.12.054 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 29289890 | 10.1016/j.ejmech.2017.12.054 | Sigma non-opioid intracellular receptor 1 | 1 |
| 29289890 | 10.1016/j.ejmech.2017.12.054 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine