Compound Detail
CHEMBL3347671
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Basic Information
| ChEMBL ID | CHEMBL3347671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMHPAFJEDLYRGO-CVYQJGLWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
159.1
MW (Da)
-0.74
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.98
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 4.98 | 4.98 | 10471.3 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.14 | 4.14 | 72000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human mGluR2 receptor expressed in HEK cells | - |
| Metabotropic glutamate receptor 2 | Ki | = | 10471.29 | nM | 4.98 | Displacement of [3H]-LY341495 from human mGluR2 receptor expressed in HEK cells | - |
| Glutamate NMDA receptor | Ki | = | 72443.6 | nM | 4.14 | Displacement of [3H]CGP-39653 from NMDA receptor in rat brain cortical membranes | - |
| Glutamate NMDA receptor | Ki | = | 72000.0 | nM | 4.14 | Displacement of [3H]CGP-39653 from NMDA receptor in rat brain cortical membranes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00186H | Unchecked | 7 |
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 2 | 2 |
| - | 10.1039/C1MD00186H | Glutamate NMDA receptor | 2 |
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 1 | 1 |
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 7 | 1 |
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 5 | 1 |
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 4 | 1 |
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine