Compound Detail
CHEMBL4740593
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Basic Information
| ChEMBL ID | CHEMBL4740593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFXPONVZYRUQFR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.5
MW (Da)
4.50
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 2.1 | nM | 8.68 | Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated f... | 32070917 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex m... | 32070917 |
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 8.0 | nM | 8.1 | Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell ... | 32070917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine