Compound Detail
CHEMBL3347672
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Basic Information
| ChEMBL ID | CHEMBL3347672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMDKZMGPXHHZST-ASWTZPABSA-N |
| Parent Compound | CHEMBL3545861 |
| Active Moiety | CHEMBL3545861 |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
-0.41
ALogP
6
HBA
3
HBD
109.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.52
EC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 5.52 | 5.52 | 3019.9 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.73 | 4.725 | 18620.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity at human mGluR1 receptor expressed in HEK cells | - |
| Metabotropic glutamate receptor 1 | Ki | = | 3019.95 | nM | 5.52 | Displacement of [3H]-Quisqualate from human mGluR1 receptor expressed in HEK cel... | - |
| Glutamate NMDA receptor | Ki | = | 18620.87 | nM | 4.73 | Displacement of [3H]CGP-39653 from NMDA receptor in rat brain cortical membranes | - |
| Glutamate NMDA receptor | Ki | = | 19000.0 | nM | 4.72 | Displacement of [3H]CGP-39653 from NMDA receptor in rat brain cortical membranes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 2 | 2 |
| - | 10.1039/C1MD00186H | Metabotropic glutamate receptor 1 | 2 |
| - | 10.1039/C1MD00186H | Glutamate NMDA receptor | 2 |
| - | 10.1039/C1MD00186H | Unchecked | 2 |
| - | 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