Compound Detail
CHEMBL3357785
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Basic Information
| ChEMBL ID | CHEMBL3357785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPUYSZJVGFTTMX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
251.4
MW (Da)
3.72
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.69 | 6.69 | 203.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 57.0 | nM | 7.24 | Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells... | 25458498 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 107.0 | nM | 6.97 | Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain mem... | 25458498 |
| Unchecked | Ki | = | 203.0 | nM | 6.69 | Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 180 mi... | 25458498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25458498 | 10.1016/j.bmc.2014.10.004 | Unchecked | 2 |
| 25458498 | 10.1016/j.bmc.2014.10.004 | Sigma non-opioid intracellular receptor 1 | 1 |
| 25458498 | 10.1016/j.bmc.2014.10.004 | Glutamate receptor ionotropic, NMDA 2B | 1 |
Data from ChEMBL 36 via Core Engine