Compound Detail
CHEMBL219113
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Basic Information
| ChEMBL ID | CHEMBL219113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRLRJUXCVXQXRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.00
ALogP
6
HBA
1
HBD
67.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL1904 | Ki | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | Ki | = | 190.0 | nM | 6.72 | Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expres... | 17249648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17249648 | 10.1021/jm060983w | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 17249648 | 10.1021/jm060983w | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17249648 | 10.1021/jm060983w | Cytochrome P450 2D6 | 1 |
| 17249648 | 10.1021/jm060983w | Cytochrome P450 2C9 | 1 |
| 17249648 | 10.1021/jm060983w | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine