Compound Detail
CHEMBL300949
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Basic Information
| ChEMBL ID | CHEMBL300949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUHDRDDTXVMFIA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
320.1
MW (Da)
3.35
ALogP
3
HBA
3
HBD
90.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 100.0 | nM | 7.0 | Ability of compound to compete with [3H]glycine for the strychnine-insensitive N... | - |
| Glutamate NMDA receptor | IC50 | = | 100.0 | nM | 7.0 | Ability to compete with [3H]glycine for strychnine-insensitive binding sites on ... | 1534125 |
| NON-PROTEIN TARGET | IC50 | = | 88000.0 | nM | 4.06 | Ability to compete with [3H]CCP for rat cortical and hippocampal membrane glutam... | 1534125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1534125 | 10.1021/jm00088a014 | Mus musculus | 5 |
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 2 |
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 2 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 1 |
| 7990104 | 10.1021/jm00050a001 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| - | 10.1016/S0960-894X(01)81105-7 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 1534125 | 10.1021/jm00088a014 | NON-PROTEIN TARGET | 1 |
| 1534125 | 10.1021/jm00088a014 | Glutamate receptor ionotropic, AMPA | 1 |
| 1534125 | 10.1021/jm00088a014 | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine