Compound Detail
CHEMBL442076
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Basic Information
| ChEMBL ID | CHEMBL442076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZOMBNQLBSHMFV-LPGMDIISSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
195.1
MW (Da)
-1.04
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.03
Ki 2 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 CHEMBL2787 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2787 | EC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL3842 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL2718 | Ki | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 | Ki | = | 7400.0 | nM | 5.13 | Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by ... | 17350267 |
| Metabotropic glutamate receptor 4 | EC50 | = | 9400.0 | nM | 5.03 | Agonist activity at rat recombinant mGluR4 expressed in BHK cells | 17350267 |
| Metabotropic glutamate receptor 6 | EC50 | = | 13000.0 | nM | 4.89 | Activity at rat recombinant mGluR6 expressed in CHO cells assessed as cAMP produ... | 17350267 |
| Metabotropic glutamate receptor 8 | Ki | = | 63000.0 | nM | 4.2 | Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells ... | 17350267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17350267 | 10.1016/j.bmc.2007.02.040 | Metabotropic glutamate receptor 4 | 2 |
| 17350267 | 10.1016/j.bmc.2007.02.040 | Metabotropic glutamate receptor 1 | 1 |
| 17350267 | 10.1016/j.bmc.2007.02.040 | Metabotropic glutamate receptor 5 | 1 |
| 17350267 | 10.1016/j.bmc.2007.02.040 | Metabotropic glutamate receptor 2 | 1 |
| 17350267 | 10.1016/j.bmc.2007.02.040 | Metabotropic glutamate receptor 6 | 1 |
| 17350267 | 10.1016/j.bmc.2007.02.040 | Metabotropic glutamate receptor 7 | 1 |
| 17350267 | 10.1016/j.bmc.2007.02.040 | Metabotropic glutamate receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine