Compound Detail
CHEMBL380179
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Basic Information
| ChEMBL ID | CHEMBL380179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWSJKECLUAWJOY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.09
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 2.9 | nM | 8.54 | Inhibition of NMDA-evoked increase in intracellular calcium ion in rat cortical ... | 16782335 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 6.0 | nM | 8.22 | Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane | 16782335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16782335 | 10.1016/j.bmcl.2006.06.002 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 16782335 | 10.1016/j.bmcl.2006.06.002 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine