Compound Detail
CHEMBL259054
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Basic Information
| ChEMBL ID | CHEMBL259054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAIJRHCPQYFJBL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
5.14
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 7.77 | 7.3033 | 17.0 | 3 |
| Metabotropic glutamate receptor 3 CHEMBL3067 | IC50 | 7.77 | 7.77 | 17.0 | 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 | Displacement of [3H]LY354740 from rat mGluR2 | 18374569 |
| Metabotropic glutamate receptor 3 | IC50 | = | 17.0 | nM | 7.77 | Antagonist activity at rat mGluR3 expressed in CHO cells assessed as inhibition ... | 18374569 |
| Metabotropic glutamate receptor 2 | IC50 | = | 24.0 | nM | 7.62 | Antagonist activity at rat mGluR2 assessed as blockade of (1S,3R)-ACPD-induced i... | 18374569 |
| Metabotropic glutamate receptor 2 | IC50 | = | 299.0 | nM | 6.52 | Antagonist activity at rat mGluR2 expressed in CHO cells assessed as inhibition ... | 18374569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18374569 | 10.1016/j.bmcl.2008.02.076 | Metabotropic glutamate receptor 2 | 3 |
| 18374569 | 10.1016/j.bmcl.2008.02.076 | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine