Compound Detail
CHEMBL1631859
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1631859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTMGYWMZJBHXBD-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
5.85
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 8.4 | 8.23 | 4.0 | 3 |
| Metabotropic glutamate receptor 3 CHEMBL3067 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.8 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Partial displacement of [3H]LY354740 from recombinant rat mGluR2 | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated ... | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 13.0 | nM | 7.89 | Antagonist activity at rat mGluR2 receptor expressed in CHO cells assessed as in... | 20971004 |
| Metabotropic glutamate receptor 3 | IC50 | = | 14.0 | nM | 7.85 | Antagonist activity at rat mGluR3 receptor expressed in CHO cells assessed as in... | 20971004 |
| Metabotropic glutamate receptor 2 | IC50 | = | 41.0 | nM | 7.39 | Antagonist activity at human mGluR2 receptor expressed in CHO cells assessed as ... | 20971004 |
| Cytochrome P450 3A4 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of CYP3A4 | 20971004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Metabotropic glutamate receptor 2 | 4 |
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Metabotropic glutamate receptor 3 | 1 |
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Liver microsomes | 1 |
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Cytochrome P450 3A4 | 1 |
| 20971004 | 10.1016/j.bmcl.2010.09.125 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine