Compound Detail
CHEMBL5418583
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Basic Information
| ChEMBL ID | CHEMBL5418583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVUJQNGLZGJMOR-WLRLJWMZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.17
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL3442 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.16 | 7.16 | 69.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 61.0 | nM | 7.21 | Displacement of [3H]ifenprodil from GluN2B in mouse LTK cells assessed as inhibi... | 36946301 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 69.0 | nM | 7.16 | Displacement of [3H]-(+)-pentazocine from guinea pig brain membrane sigma 1 rece... | 36946301 |
| Sigma intracellular receptor 2 | Ki | = | 86.0 | nM | 7.07 | Displacement of [3H]di-o-tolylguanidine from rat liver membrane sigma 2 receptor... | 36946301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36946301 | 10.1021/acs.jmedchem.2c02081 | Unchecked | 2 |
| 36946301 | 10.1021/acs.jmedchem.2c02081 | Sigma non-opioid intracellular receptor 1 | 1 |
| 36946301 | 10.1021/acs.jmedchem.2c02081 | Sigma intracellular receptor 2 | 1 |
| 36946301 | 10.1021/acs.jmedchem.2c02081 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 36946301 | 10.1021/acs.jmedchem.2c02081 | No relevant target | 1 |
| 36946301 | 10.1021/acs.jmedchem.2c02081 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine