Compound Detail
CHEMBL194787
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Basic Information
| ChEMBL ID | CHEMBL194787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTVFQKSMRLANLZ-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
7
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 3 meas. best 6.43
EC50 2 meas. best 4.8
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL2851 | EC50 | 4.8 | 4.62 | 16000.0 | 2 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 4.57 | 4.3 | 27000.0 | 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 | In vitro binding affinity for NMDA receptor using [3H]-CGP- 39653 | 16190758 |
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of 10 uM NMDA induced electrophysiological response in rat cortical w... | 16190758 |
| Metabotropic glutamate receptor 2 | EC50 | = | 16000.0 | nM | 4.8 | Effective concentration against mGluR2 receptor expressed in CHO cells | 16190758 |
| Metabotropic glutamate receptor 1 | Ki | = | 27000.0 | nM | 4.57 | Binding affinity for mGluR1 receptor expressed in CHO cells | 16190758 |
| Metabotropic glutamate receptor 2 | EC50 | = | 36000.0 | nM | 4.44 | Effective concentration against mGluR2 receptor expressed in CHO cells | 16190758 |
| Metabotropic glutamate receptor 1 | Ki | = | 94000.0 | nM | 4.03 | Binding affinity for mGluR1 receptor expressed in CHO cells | 16190758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 4 | 4 |
| 16190758 | 10.1021/jm0504499 | Glutamate NMDA receptor | 2 |
| 16190758 | 10.1021/jm0504499 | Glutamate receptor ionotropic, AMPA | 2 |
| 16190758 | 10.1021/jm0504499 | Glutamate receptor ionotropic, kainate | 2 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 1 | 2 |
| 16190758 | 10.1021/jm0504499 | Metabotropic glutamate receptor 2 | 2 |
| 16190758 | 10.1021/jm0504499 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine