Compound Detail
CHEMBL467505
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Basic Information
| ChEMBL ID | CHEMBL467505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQEZLKZALYSWHR-CYBMUJFWSA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
237.7
MW (Da)
2.90
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.18
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.18 | 6.18 | 659.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.85 | 5.5633 | 1400.0 | 3 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.67 | 5.67 | 2120.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 7.93 | umol/Kg | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 659.0 | nM | 6.18 | Displacement of [3H]MK801 from NMDA receptor (unknown origin) by radioligand bin... | 32717484 |
| Glutamate NMDA receptor | Ki | = | 1400.0 | nM | 5.85 | Displacement of [3H]-MK801 from NMDA receptor in rat brain homogenate | 32915563 |
| Glutamate NMDA receptor | IC50 | = | 2120.0 | nM | 5.67 | Displacement of [3H]MK-801 from NMDA receptor in Wistar rat brain membranes by s... | 26296478 |
| Glutamate NMDA receptor | Ki | = | 2570.0 | nM | 5.59 | Displacement of [3H]-MK801 from NMDA receptor in rat brain membranes | 32915563 |
| Glutamate NMDA receptor | Ki | = | 5680.0 | nM | 5.25 | Displacement of [3H]MK801 from NMDA receptor in rat brain neuronal membrane | 19345586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26296478 | 10.1016/j.bmcl.2015.08.017 | Glutamate NMDA receptor | 15 |
| 19345586 | 10.1016/j.bmc.2009.03.025 | Glutamate NMDA receptor | 2 |
| 32915563 | 10.1021/acs.jmedchem.0c01193 | Glutamate NMDA receptor | 2 |
| 32915563 | 10.1021/acs.jmedchem.0c01193 | ADMET | 1 |
| 32717484 | 10.1016/j.ejmech.2020.112617 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine