Compound Detail
CHEMBL5435194
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Basic Information
| ChEMBL ID | CHEMBL5435194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCPFUGAPOSGQKS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.01
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.6 | nM | 8.18 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain me... | 37580890 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L-M(TK-) cel... | 37580890 |
| Sigma intracellular receptor 2 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]di-o-tolylguanidine from sigma2 receptor in rat liver membra... | 37580890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37580890 | 10.1021/acs.jmedchem.3c01161 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 37580890 | 10.1021/acs.jmedchem.3c01161 | Sigma non-opioid intracellular receptor 1 | 1 |
| 37580890 | 10.1021/acs.jmedchem.3c01161 | Sigma intracellular receptor 2 | 1 |
| 37580890 | 10.1021/acs.jmedchem.3c01161 | No relevant target | 1 |
| 37580890 | 10.1021/acs.jmedchem.3c01161 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine