Compound Detail
CHEMBL303080
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Basic Information
| ChEMBL ID | CHEMBL303080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXJZWNPIQFHATE-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.1
MW (Da)
2.80
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Ki 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.48 | 5.48 | 3330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 340.0 | nM | 6.47 | Tested for the ability to displace [3H]glycine, by greater than 50%, from NMDA r... | - |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory activity against Fructose-1,6-bisphosphatase (F16BPase) in human live... | 12781194 |
| Glutamate NMDA receptor | IC50 | = | 3330.0 | nM | 5.48 | Tested for the ability to inhibit [3H]MK-801 binding to NMDA receptor of rat cor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781194 | 10.1016/s0960-894x(03)00310-x | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80096-7 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| - | 10.1016/S0960-894X(00)80096-7 | Glutamate NMDA receptor | 1 |
| 22960695 | 10.1016/j.ejmech.2012.08.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine