Compound Detail
CHEMBL1631858
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Basic Information
| ChEMBL ID | CHEMBL1631858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYGZDPKEZBLAHD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
5.54
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 8.4 | 8.18 | 4.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
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 | = | 11.0 | nM | 7.96 | Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated ... | 20971004 |
| Cytochrome P450 3A4 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of CYP3A4 | 20971004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20971004 | 10.1016/j.bmcl.2010.09.125 | Metabotropic glutamate receptor 2 | 2 |
| 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