Compound Detail
CHEMBL145680
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Basic Information
| ChEMBL ID | CHEMBL145680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEKYRSXGOFLCKM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
214.3
MW (Da)
-2.04
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | EC50 | = | 18000.0 | nM | 4.75 | Ability to enhance [3H]MK-801 binding to NMDA receptors in rat forebrain membran... | 8523402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523402 | 10.1021/jm00025a006 | Glutamate NMDA receptor | 3 |
Data from ChEMBL 36 via Core Engine