Compound Detail
CHEMBL113180
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Basic Information
| ChEMBL ID | CHEMBL113180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIXJURSCCVBKRF-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
0.63
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 5.68
EC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.68 | 5.2133 | 2100.0 | 3 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.47 | 4.395 | 34000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 2100.0 | nM | 5.68 | In vitro binding affinity for Ionotropic glutamate receptor AMPA site was determ... | 9046343 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 10000.0 | nM | 5.0 | Concentration required for 50% inhibition of [3H]AMPA binding to AMPA receptor i... | 1383544 |
| Rattus norvegicus | IC50 | = | 10600.0 | nM | 4.97 | Inhibition of [3H]AMPA binding in rat brain membrane was evaluated | 2859375 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 11000.0 | nM | 4.96 | Tested in vitro for the concentration required to inhibit [3H]AMPA radioligand a... | 7523673 |
| Rattus norvegicus | EC50 | = | 34000.0 | nM | 4.47 | Effective concentration evaluated in electrophysiological rat cortical slice mod... | 9046343 |
| Rattus norvegicus | EC50 | = | 48000.0 | nM | 4.32 | Effective concentration in vitro as electropharmacological activity in the rat c... | 7523673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046343 | 10.1021/jm9607212 | ADMET | 3 |
| 7523673 | 10.1021/jm00046a009 | Glutamate NMDA receptor | 2 |
| 2859375 | 10.1021/jm50001a022 | Rattus norvegicus | 2 |
| 1383544 | 10.1021/jm00097a008 | Glutamate receptor ionotropic, AMPA | 2 |
| 1383544 | 10.1021/jm00097a008 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 9046343 | 10.1021/jm9607212 | Glutamate receptor ionotropic, AMPA | 1 |
| 9046343 | 10.1021/jm9607212 | Rattus norvegicus | 1 |
| 7523673 | 10.1021/jm00046a009 | Glutamate receptor ionotropic, AMPA | 1 |
| 7523673 | 10.1021/jm00046a009 | Rattus norvegicus | 1 |
| 2859375 | 10.1021/jm50001a022 | Unchecked | 1 |
| 1383544 | 10.1021/jm00097a008 | Glutamate receptor ionotropic, kainate | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine