Compound Detail
CHEMBL3752701
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Basic Information
| ChEMBL ID | CHEMBL3752701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNEDBWGEAFWGRR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.78
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 6.05 | 6.05 | 887.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 31.0 | nM | 7.51 | Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacemen... | 26750254 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 887.0 | nM | 6.05 | Displacement of [3H]ifenprodil from recombinant human GluN1a/GluN2B expressed in... | 26750254 |
| Unchecked | Ki | = | 1300.0 | nM | 5.89 | Binding affinity to sigma-2 receptor (unknown origin) by radioligand displacemen... | 26750254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750254 | 10.1016/j.bmcl.2015.12.067 | Unchecked | 2 |
| 26750254 | 10.1016/j.bmcl.2015.12.067 | Sigma non-opioid intracellular receptor 1 | 1 |
| 26750254 | 10.1016/j.bmcl.2015.12.067 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
Data from ChEMBL 36 via Core Engine