Compound Detail
CHEMBL301556
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Basic Information
| ChEMBL ID | CHEMBL301556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHXISZKSSIWRLH-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
230.1
MW (Da)
3.17
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.23
Ki 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 6.01 | 6.01 | 980.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL2015 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.23 | 5.2233 | 5910.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 980.0 | nM | 6.01 | Tested for the ability to displace [3H]glycine, by greater than 50%, from NMDA r... | - |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 2900.0 | nM | 5.54 | Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate... | 12502360 |
| Glutamate NMDA receptor | IC50 | = | 5910.0 | nM | 5.23 | Tested for the ability to inhibit [3H]MK-801 binding to NMDA receptor of rat cor... | - |
| Glutamate NMDA receptor | IC50 | = | 6000.0 | nM | 5.22 | Activity against rat cortical and hippocampal membrane strychnine-insensitive N-... | 2146391 |
| Glutamate NMDA receptor | IC50 | = | 6000.0 | nM | 5.22 | Ability to compete with [3H]glycine for strychnine-insensitive binding sites on ... | 1534125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2146391 | 10.1021/jm00173a003 | Glutamate NMDA receptor | 3 |
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 2 |
| - | 10.1016/S0960-894X(00)80096-7 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| - | 10.1016/S0960-894X(00)80096-7 | Glutamate NMDA receptor | 1 |
| 12502360 | 10.1021/jm020955n | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 1534125 | 10.1021/jm00088a014 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine