Compound Detail
CHEMBL23044
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Basic Information
| ChEMBL ID | CHEMBL23044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYMLSFWVYNAKAR-UHFFFAOYSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
0.95
ALogP
6
HBA
2
HBD
109.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Ki 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.7 | 5.7 | 2000.0 | 2 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.42 | 5.25 | 3800.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic AMPA | IC50 | = | 2000.0 | nM | 5.7 | Binding affinity against AMPA receptor using [3H]- AMPA radioligand | - |
| Glutamate receptor ionotropic, AMPA | Ki | = | 2000.0 | nM | 5.7 | Binding affinity against AMPA receptor in rat brain membrane using [3H]-AMPA as ... | 8120865 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 2000.0 | nM | 5.7 | In vitro inhibition of the specific binding of [3H]AMPA to Ionotropic glutamate ... | 8632440 |
| Unchecked | Ki | = | 2000.0 | nM | 5.7 | Displacement of [3H]AMPA from AMPA receptor in rat cortical membrane | 20356304 |
| Glutamate NMDA receptor | IC50 | = | 3800.0 | nM | 5.42 | Displacement of [3H]DCKA at N-methyl-D-aspartate glutamate receptor 1 | 9357535 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 7700.0 | nM | 5.11 | Binding affinity in rat brain cortical membranes by the displacement of [3H]AMPA... | 9357535 |
| Glutamate NMDA receptor | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... | 1826744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34536671 | 10.1016/j.ejmech.2021.113823 | Schistosoma mansoni | 3 |
| 1826744 | 10.1021/jm00108a002 | Glutamate NMDA receptor | 2 |
| 34536671 | 10.1016/j.ejmech.2021.113823 | HepG2 | 2 |
| 34536671 | 10.1016/j.ejmech.2021.113823 | ADMET | 2 |
| - | 10.1016/S0960-894X(97)00239-4 | Glutamate receptor ionotropic AMPA | 1 |
| 7473565 | 10.1021/jm00022a003 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 7473565 | 10.1021/jm00022a003 | Glutamate receptor ionotropic, AMPA | 1 |
| 7473565 | 10.1021/jm00022a003 | Unchecked | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate NMDA receptor | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, AMPA | 1 |
| 9357535 | 10.1021/jm970396y | Glutamate receptor ionotropic, kainate | 1 |
| 8120865 | 10.1021/jm00030a006 | Glutamate receptor ionotropic, AMPA | 1 |
| 8632440 | 10.1021/jm950304+ | Glutamate receptor ionotropic, AMPA | 1 |
| 1826744 | 10.1021/jm00108a002 | Glutamate receptor ionotropic, AMPA | 1 |
| 1826744 | 10.1021/jm00108a002 | Glutamate receptor ionotropic, kainate | 1 |
| 20356304 | 10.1021/jm901688m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine