Compound Detail
CHEMBL229102
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Basic Information
| ChEMBL ID | CHEMBL229102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSYVYGLWUVDAGZ-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.5
MW (Da)
3.87
ALogP
3
HBA
2
HBD
52.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.37 | 5.4729 | 430.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 430.0 | nM | 6.37 | Displacement of [3H]MK-801 from NMDA receptor in Wistar rat brain membranes by s... | 26296478 |
| Glutamate NMDA receptor | IC50 | = | 520.0 | nM | 6.28 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 540.0 | nM | 6.27 | Displacement of [3H]MK-801 from rat brain NMDA receptor | 17112642 |
| Glutamate NMDA receptor | IC50 | = | 6100.0 | nM | 5.21 | Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta co... | 26117647 |
| Glutamate NMDA receptor | IC50 | = | 8840.0 | nM | 5.05 | Displacement of [3H]MK-801 from NMDA receptor in rat brain in presence of 100 uM... | 17112642 |
| Glutamate NMDA receptor | IC50 | = | 15100.0 | nM | 4.82 | Displacement of [3H]MK801 from rat brain NMDA receptor in presence of 30 uM sper... | 17112642 |
| Glutamate NMDA receptor | IC50 | = | 49300.0 | nM | 4.31 | Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by bet... | 26117647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26296478 | 10.1016/j.bmcl.2015.08.017 | Glutamate NMDA receptor | 15 |
| 26117647 | 10.1016/j.bmc.2015.06.012 | Glutamate NMDA receptor | 4 |
| 17112642 | 10.1016/j.ejmech.2006.09.017 | Glutamate NMDA receptor | 3 |
Data from ChEMBL 36 via Core Engine