Compound Detail
CHEMBL38936
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Basic Information
| ChEMBL ID | CHEMBL38936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEMFBSCVGTUXHD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
4.93
ALogP
1
HBA
2
HBD
39.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.33 | 7.915 | 4.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 4.65 | nM | 8.33 | In vitro binding to N-methyl-D-aspartate glutamate receptor using [3H]MK-801 (1 ... | 12039567 |
| Glutamate NMDA receptor | Ki | = | 31.9 | nM | 7.5 | Displacement of [3H]TCP from rat brain NMDA receptor | 25499436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25499436 | 10.1016/j.bmcl.2014.11.066 | Glutamate NMDA receptor | 2 |
| 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