Compound Detail
CHEMBL71073
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Basic Information
| ChEMBL ID | CHEMBL71073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRTOQOAGTSUNHA-REOHCLBHSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
251.0
MW (Da)
0.10
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
EC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.565 | 220.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2096617 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | In vitro binding affinity against Metabotropic glutamate receptor using [3H](S)-... | 9526567 |
| Rattus norvegicus | IC50 | = | 220.0 | nM | 6.66 | In vitro binding affinity against synaptic membrane from rat brain using [3H](S)... | 2552114 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 340.0 | nM | 6.47 | Compound was tested for in vitro binding affinity against Ionotropic glutamate r... | 9526567 |
| Unchecked | IC50 | = | 340.0 | nM | 6.47 | In vitro binding affinity against synaptic membrane from rat brain using [3H]-Io... | 2552114 |
| Rattus norvegicus | EC50 | = | 21000.0 | nM | 4.68 | Compound was tested for electrophysiological experiments using rat cortical wedg... | 9526567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2552114 | 10.1021/jm00130a005 | Unchecked | 2 |
| 21923187 | 10.1021/jm200862h | Unchecked | 2 |
| 9526567 | 10.1021/jm9706731 | Glutamate receptor ionotropic, AMPA | 1 |
| 9526567 | 10.1021/jm9706731 | Unchecked | 1 |
| 9526567 | 10.1021/jm9706731 | Rattus norvegicus | 1 |
| 2552114 | 10.1021/jm00130a005 | Glutamate receptor ionotropic, kainate | 1 |
| 2552114 | 10.1021/jm00130a005 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine