Compound Detail
CHEMBL293092
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Basic Information
| ChEMBL ID | CHEMBL293092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEEQOTXCUZRCLD-NSHDSACASA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
3.69
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.12 | 6.98 | 75.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 75.0 | nM | 7.12 | Functional NMDA receptor antagonism expressed as inhibition of NMDA/glycine indu... | 10450953 |
| Glutamate NMDA receptor | IC50 | = | 75.0 | nM | 7.12 | The compound was tested in vitro for the inhibition of N-methyl-D-aspartate glut... | 11078190 |
| Glutamate NMDA receptor | IC50 | = | 110.0 | nM | 6.96 | Displacement of [3H]MK-801 from NMDA receptor in Wistar rat brain membranes by s... | 26296478 |
| Glutamate NMDA receptor | IC50 | = | 141.0 | nM | 6.85 | Potency towards NMDA receptor measured as inhibition of (+)-[3-3H]MK-801 binding... | 10450953 |
| Glutamate NMDA receptor | IC50 | = | 141.0 | nM | 6.85 | The compound was tested in vitro for the displacement of the radioligand (+)-[3H... | 11078190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26296478 | 10.1016/j.bmcl.2015.08.017 | Glutamate NMDA receptor | 14 |
| 10450953 | 10.1016/s0960-894x(99)00317-0 | Glutamate NMDA receptor | 2 |
| 11078190 | 10.1016/s0960-894x(00)00470-4 | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine