Compound Detail
CHEMBL447983
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Basic Information
| ChEMBL ID | CHEMBL447983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JINQHBRSXWQJAZ-HNNXBMFYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
3.10
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 780.0 | nM | 6.11 | Displacement of [3H]MK-801 from NMDA receptor in Wistar rat brain membranes by s... | 26296478 |
| Glutamate NMDA receptor | Ki | = | 790.0 | nM | 6.1 | Displacement of [3H]MK801 from NMDA receptor in rat brain neuronal membrane | 19345586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26296478 | 10.1016/j.bmcl.2015.08.017 | Glutamate NMDA receptor | 15 |
| 19345586 | 10.1016/j.bmc.2009.03.025 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine