Compound Detail
CHEMBL421402
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Basic Information
| ChEMBL ID | CHEMBL421402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTVFQKSMRLANLZ-PDJPSNROSA-N |
3
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
-0.98
ALogP
5
HBA
3
HBD
122.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.43
EC50 1 meas. best 4.85
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.43 | 5.73 | 370.0 | 3 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 4.03 | 4.025 | 94000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 370.0 | nM | 6.43 | Displacement of [3H]CGP-39653 from rat brain NMDA receptor | 15615523 |
| Glutamate NMDA receptor | Ki | = | 370.0 | nM | 6.43 | Displacement of [3H]CGP 39653 from NMDA receptor in Sprague-Dawley rat brain syn... | 21220180 |
| Glutamate NMDA receptor | IC50 | = | 490.0 | nM | 6.31 | In vitro binding affinity for rat cortical membrane N-methyl-D-aspartate glutama... | 12825948 |
| Rattus norvegicus | EC50 | = | 14000.0 | nM | 4.85 | Antagonist activity against responses induced by 10 uM NMDA tested in rat cortic... | 12825948 |
| Glutamate NMDA receptor | Ki | = | 47000.0 | nM | 4.33 | In vitro binding affinity for NMDA receptor using [3H]-CGP- 39653 | 16190758 |
| Metabotropic glutamate receptor 1 | Ki | = | 94000.0 | nM | 4.03 | Inhibitory constant against cloned rat Metabotropic glutamate receptor 1 express... | 12825948 |
| Metabotropic glutamate receptor 1 | Ki | = | 95000.0 | nM | 4.02 | Binding affinity for mGluR1 receptor expressed in CHO cells | 16190758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825948 | 10.1021/jm0308085 | Mus musculus | 8 |
| 12825948 | 10.1021/jm0308085 | Rattus norvegicus | 4 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 4 | 3 |
| 21220180 | 10.1016/j.ejmech.2010.12.020 | Unchecked | 2 |
| 15615523 | 10.1021/jm049409f | Mus musculus | 2 |
| 15615523 | 10.1021/jm049409f | Unchecked | 2 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 4 | 2 |
| 16190758 | 10.1021/jm0504499 | Glutamate receptor ionotropic, AMPA | 1 |
| 21220180 | 10.1016/j.ejmech.2010.12.020 | Glutamate NMDA receptor | 1 |
| 15615523 | 10.1021/jm049409f | Glutamate NMDA receptor | 1 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 2 | 1 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 1 | 1 |
| 16190758 | 10.1021/jm0504499 | Glutamate receptor ionotropic, kainate | 1 |
| 12825948 | 10.1021/jm0308085 | Glutamate NMDA receptor | 1 |
| 16190758 | 10.1021/jm0504499 | Glutamate NMDA receptor | 1 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 2 | 1 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 5 | 1 |
| 12825948 | 10.1021/jm0308085 | Metabotropic glutamate receptor 1 | 1 |
| 12825948 | 10.1021/jm0308085 | Glutamate receptor ionotropic, kainate | 1 |
| 12825948 | 10.1021/jm0308085 | Glutamate receptor ionotropic, AMPA | 1 |
Data from ChEMBL 36 via Core Engine