Compound Detail
CHEMBL80741
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Basic Information
| ChEMBL ID | CHEMBL80741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNXXFIJGNAGRFN-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
466.1
MW (Da)
3.78
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.4 | 7.682 | 4.0 | 5 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 4.0 | nM | 8.4 | Binding affinity at the glycine binding site of the N-methyl-D-aspartate glutama... | - |
| Glutamate NMDA receptor | IC50 | = | 8.0 | nM | 8.1 | Binding affinity at the glycine binding site of the N-methyl-D-aspartate glutama... | - |
| Glutamate NMDA receptor | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 8.3 | nM | 8.08 | Displacement of [3H]dichlorokynurenate ([3H]-DCKA) from N-methyl-D-aspartate glu... | 10882363 |
| Glutamate NMDA receptor | IC50 | = | 1880.0 | nM | 5.73 | Binding affinity at the glycine binding site of the N-methyl-D-aspartate glutama... | - |
| Rattus norvegicus | IC50 | = | 80000.0 | nM | 4.1 | Rise in the c-GMP levels induced by NMDA in immature rat cerebellar cortex | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80586-2 | Glutamate NMDA receptor | 3 |
| - | 10.1016/S0960-894X(01)80586-2 | Mus musculus | 2 |
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(01)80586-2 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)80586-2 | Glutamate receptor 4 | 1 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 1 |
| 10882363 | 10.1021/jm990957g | Glutamate NMDA receptor | 1 |
| 10882363 | 10.1021/jm990957g | Glutamate receptor ionotropic, AMPA | 1 |
| 10882363 | 10.1021/jm990957g | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine