Compound Detail
CHEMBL538081
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Basic Information
| ChEMBL ID | CHEMBL538081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDHPWBQADUDSNY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189132 |
| Active Moiety | CHEMBL1189132 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.30
ALogP
3
HBA
3
HBD
70.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of NMDA-evoked intracellular calcium increase in rat cortical cells | 16213709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16213709 | 10.1016/j.bmcl.2005.08.110 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine