Compound Detail
CHEMBL4280186
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Basic Information
| ChEMBL ID | CHEMBL4280186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQFSFWAXPXDHSQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.55
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 6.56 | 6.56 | 276.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | Ki | 6.52 | 6.52 | 302.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.0 | 6.0 | 992.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 276.0 | nM | 6.56 | Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membr... | 30103189 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | Ki | = | 302.0 | nM | 6.52 | Displacement of [3H]-ifenprodil from GluN1a/GluN2B (unknown origin) expressed in... | 30103189 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 992.0 | nM | 6.0 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 30103189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Unchecked | 2 |
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Sigma non-opioid intracellular receptor 1 | 1 |
| 30103189 | 10.1016/j.ejmech.2018.08.003 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine