Compound Detail
CHEMBL83720
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Basic Information
| ChEMBL ID | CHEMBL83720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCXLPVAAGYNKBT-VIFPVBQESA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
248.2
MW (Da)
1.00
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
IC50 2 meas. best 5.26
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.26 | 5.24 | 5500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 501.19 | nM | 6.3 | The compound was evaluated for agonist sensitivity to antagonist NBQX | 7512140 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 5500.0 | nM | 5.26 | Ability to inhibit the binding of [3H]AMPA radioligand to Ionotropic glutamate r... | 9651156 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 6000.0 | nM | 5.22 | Compound was evaluated for the inhibition of binding of [3H]AMPA to the AMPA rec... | 7512140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651156 | 10.1021/jm9801206 | Glutamate receptor ionotropic, AMPA | 2 |
| 7512140 | 10.1021/jm00033a003 | Glutamate receptor ionotropic, AMPA | 2 |
| 7512140 | 10.1021/jm00033a003 | Glutamate NMDA receptor | 2 |
| 7512140 | 10.1021/jm00033a003 | Rattus norvegicus | 2 |
| 9651156 | 10.1021/jm9801206 | Glutamate receptor ionotropic, kainate | 1 |
| 9651156 | 10.1021/jm9801206 | Glutamate NMDA receptor | 1 |
| 7512140 | 10.1021/jm00033a003 | Glutamate receptor ionotropic, kainate | 1 |
| 7512140 | 10.1021/jm00033a003 | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine