Compound Detail
CHEMBL198511
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Basic Information
| ChEMBL ID | CHEMBL198511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPCJNIHRZLMOSD-ZETCQYMHSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
-1.71
ALogP
7
HBA
3
HBD
144.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.75
IC50 1 meas.
Kd 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 4.75 | 4.385 | 17800.0 | 2 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Kd | 4.22 | 4.22 | 60500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | Ki | = | 17800.0 | nM | 4.75 | Displacement of [3H](S)-5-fluorowillardiine from AMPA receptor in rat brain memb... | 16302825 |
| Glutamate receptor ionotropic, kainate 1 | Kd | = | 60500.0 | nM | 4.22 | Antagonism on GLUK5 containing kainate induced depolarization of isolated neonat... | 16302825 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 96200.0 | nM | 4.02 | Displacement of [3H]SYM2081 from kainate receptor in rat brain membrane | 16302825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, AMPA | 3 |
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, kainate 1 | 1 |
| 16302825 | 10.1021/jm050584l | Glutamate receptor ionotropic, kainate 2 | 1 |
Data from ChEMBL 36 via Core Engine