Compound Detail
CHEMBL404886
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Basic Information
| ChEMBL ID | CHEMBL404886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHKGHOHNMXZGJC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
437.4
MW (Da)
3.97
ALogP
6
HBA
2
HBD
92.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 7.77 | 7.735 | 17.0 | 2 |
| Metabotropic glutamate receptor 8 CHEMBL2718 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 17.0 | nM | 7.77 | Antagonist activity at rat mGluR2 assessed as effect on (1S,3R)-ACPD-induced inh... | 18096387 |
| Metabotropic glutamate receptor 2 | IC50 | = | 20.0 | nM | 7.7 | Displacement of [3H]LY354740 from rat recombinant mGluR2 expressed in CHO cells | 18096387 |
| Metabotropic glutamate receptor 8 | IC50 | = | 5000.0 | nM | 5.3 | Displacement of [3H]-L-AP4 from rat mGluR8 | 18096387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18096387 | 10.1016/j.bmcl.2007.12.005 | Metabotropic glutamate receptor 2 | 3 |
| 18096387 | 10.1016/j.bmcl.2007.12.005 | Unchecked | 2 |
| 18096387 | 10.1016/j.bmcl.2007.12.005 | Metabotropic glutamate receptor 3 | 1 |
| 18096387 | 10.1016/j.bmcl.2007.12.005 | Metabotropic glutamate receptor 5 | 1 |
| 18096387 | 10.1016/j.bmcl.2007.12.005 | Metabotropic glutamate receptor 8 | 1 |
| 18096387 | 10.1016/j.bmcl.2007.12.005 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine