Compound Detail
CHEMBL456823
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Basic Information
| ChEMBL ID | CHEMBL456823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INXYUZGZBZNQGF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.13
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL2892 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 1.5 | nM | 8.82 | Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium f... | 18849168 |
| Metabotropic glutamate receptor 1 | IC50 | = | 7.0 | nM | 8.15 | Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium f... | 18849168 |
| Metabotropic glutamate receptor 5 | IC50 | = | 170.0 | nM | 6.77 | Antagonist activity at human mGluR5 expressed in CHO cells assessed as calcium f... | 18849168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18849168 | 10.1016/j.bmc.2008.09.060 | No relevant target | 2 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | Metabotropic glutamate receptor 1 | 2 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | Liver microsomes | 2 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | Metabotropic glutamate receptor 5 | 1 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | ADMET | 1 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine