Compound Detail
CHEMBL350704
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Basic Information
| ChEMBL ID | CHEMBL350704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMFKCYNELPKFIX-WMZOPIPTSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 3 CHEMBL3744 | IC50 | 5.94 | 5.41 | 1160.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 4.84 | 4.84 | 14490.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.41 | 4.41 | 39270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1160.0 | nM | 5.94 | Inhibitory activity towards group 2 metabotropic glutamate receptor by displacem... | 9871538 |
| Glutamate receptor ionotropic, kainate 3 | IC50 | = | 1160.0 | nM | 5.94 | Binding affinity against Ionotropic glutamate receptor using ACPD sensitive [3H]... | 9871538 |
| Glutamate receptor ionotropic, kainate 3 | IC50 | = | 13200.0 | nM | 4.88 | Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 dis... | 9871538 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 14490.0 | nM | 4.84 | Binding affinity against Ionotropic glutamate receptor using [3H]-AMPA displacem... | 9871538 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 39270.0 | nM | 4.41 | Binding affinity against Ionotropic glutamate receptor using [3H]-Kainate displa... | 9871538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871538 | 10.1016/s0960-894x(98)00091-2 | Glutamate receptor ionotropic, kainate 3 | 2 |
| 9871538 | 10.1016/s0960-894x(98)00091-2 | Unchecked | 1 |
| 9871538 | 10.1016/s0960-894x(98)00091-2 | Glutamate receptor ionotropic, AMPA | 1 |
| 9871538 | 10.1016/s0960-894x(98)00091-2 | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine