Compound Detail
CHEMBL244796
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Basic Information
| ChEMBL ID | CHEMBL244796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPEUOKKTGONULE-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
4.08
ALogP
2
HBA
0
HBD
36.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.14
IC50 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 7.14 | 7.05 | 72.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 7.7 | nM | 8.11 | Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of ... | 17590335 |
| Metabotropic glutamate receptor 5 | Ki | = | 72.0 | nM | 7.14 | Displacement of [3H]MPEP from mGlu5 receptor in rat brain | 17590335 |
| Metabotropic glutamate receptor 5 | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]MPEP from mGluR5 in rat brain membrane | 17446071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17590335 | 10.1016/j.bmcl.2007.06.030 | Metabotropic glutamate receptor 5 | 2 |
| 17446071 | 10.1016/j.bmcl.2007.03.066 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine