Compound Detail
CHEMBL2047403
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Basic Information
| ChEMBL ID | CHEMBL2047403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKQGHPQTBLEIJG-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.2
MW (Da)
1.55
ALogP
6
HBA
2
HBD
97.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Ki 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.14 | 6.14 | 720.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.4533 | 1500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 720.0 | nM | 6.14 | Displacement of [3H]AMPA from AMPA receptor in rat cortical synaptical membrane | 22704999 |
| Glutamate NMDA receptor | Ki | = | 800.0 | nM | 6.1 | Displacement of [3H]glycine from NMDA receptor in rat cortical synaptical membra... | 22704999 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at AMPA receptor in mouse cortical wedge assessed as inhibit... | 22704999 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Displacement of [3H]kainate from high affinity kainate receptor in rat cortical ... | 22704999 |
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | Antagonist activity at NMDA receptor in mouse cortical wedge assessed as inhibit... | 22704999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22704999 | 10.1016/j.ejmech.2012.05.036 | Unchecked | 5 |
| 22704999 | 10.1016/j.ejmech.2012.05.036 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine