Compound Detail
CHEMBL380626
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Basic Information
| ChEMBL ID | CHEMBL380626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SINSISHOQIDCEP-RVDMUPIBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
251.7
MW (Da)
3.00
ALogP
1
HBA
1
HBD
44.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR | 16380255 |
| Metabotropic glutamate receptor 5 | IC50 | = | 2000.0 | nM | 5.7 | Displacement of [3H]MPEP from mGluR5d in rat brain membrane | 16380255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31473 | 10.1021/jm00208a008 | Mus musculus | 10 |
| 16380255 | 10.1016/j.bmcl.2005.11.092 | Metabotropic glutamate receptor 5 | 2 |
| 31473 | 10.1021/jm00208a008 | Rattus norvegicus | 1 |
| 31473 | 10.1021/jm00208a008 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine