Compound Detail
CHEMBL40657
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Basic Information
| ChEMBL ID | CHEMBL40657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEIOIRMHJVWUIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.9
MW (Da)
4.55
ALogP
3
HBA
2
HBD
48.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 5.2 | nM | 8.28 | In vitro binding to N-methyl-D-aspartate glutamate receptor using [3H]MK-801 (1 ... | 12039567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12039567 | 10.1016/s0960-894x(02)00235-4 | Glutamate NMDA receptor | 1 |
| 12039567 | 10.1016/s0960-894x(02)00235-4 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine