Compound Detail
CHEMBL80649
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Basic Information
| ChEMBL ID | CHEMBL80649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNLOOYJBLRHTMX-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.7
MW (Da)
2.30
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.3 | 7.7367 | 5.0 | 3 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.0 | 5.56 | 1000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 5.0 | nM | 8.3 | Displacement of [3H]dichlorokynurenate ([3H]-DCKA) from N-methyl-D-aspartate glu... | 10882363 |
| Glutamate NMDA receptor | IC50 | = | 28.0 | nM | 7.55 | Displacement of [3H]dichlorokynurenate ([3H]-DCKA) from N-methyl-D-aspartate glu... | 10882363 |
| Glutamate NMDA receptor | IC50 | = | 44.0 | nM | 7.36 | Displacement of [3H]dichlorokynurenate ([3H]-DCKA) from N-methyl-D-aspartate glu... | 10882363 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]-AMPA from Ionotropic glutamate receptor AMPA of rat cortica... | 10882363 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 2100.0 | nM | 5.68 | Displacement of [3H]-AMPA from Ionotropic glutamate receptor AMPA of rat cortica... | 10882363 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 10000.0 | nM | 5.0 | Displacement of [3H]-AMPA from Ionotropic glutamate receptor AMPA of rat cortica... | 10882363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882363 | 10.1021/jm990957g | Mus musculus | 6 |
| 10882363 | 10.1021/jm990957g | Glutamate NMDA receptor | 3 |
| 10882363 | 10.1021/jm990957g | Glutamate receptor ionotropic, AMPA | 3 |
Data from ChEMBL 36 via Core Engine