Compound Detail
CHEMBL112386
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Basic Information
| ChEMBL ID | CHEMBL112386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IESYTBDOVCIPKA-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
255.1
MW (Da)
2.29
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.2
Ki 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 6.2 | 6.2 | 630.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.33 | 5.33 | 4690.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 5.33 | 5.215 | 4690.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | IC50 | = | 630.0 | nM | 6.2 | Displacement of [3H]glycine from NMDA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 630.0 | nM | 6.2 | Displacement of [3H]glycine from glycine site on the NMDA receptor. | 1382133 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 4690.0 | nM | 5.33 | Displacement of [3H]AMPA from AMPA receptor (unknown origin) | 34998058 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 4690.0 | nM | 5.33 | Displacement of [3H]AMPA from Ionotropic glutamate receptor AMPA. | 1382133 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 7000.0 | nM | 5.16 | Compound was evaluated for its binding affinity towards strychnine - insensitive... | - |
| Glutamate receptor ionotropic AMPA | IC50 | = | 8000.0 | nM | 5.1 | Compound was evaluated for its binding affinity towards Ionotropic glutamate rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81062-3 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| - | 10.1016/S0960-894X(01)81062-3 | Glutamate receptor ionotropic AMPA | 1 |
| - | 10.1016/S0960-894X(01)81062-3 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 1382133 | 10.1021/jm00096a002 | Glutamate receptor ionotropic, AMPA | 1 |
| 1382133 | 10.1021/jm00096a002 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic AMPA | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine