Compound Detail
CHEMBL245403
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Basic Information
| ChEMBL ID | CHEMBL245403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBJCDASMWDBKAU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
233.2
MW (Da)
0.03
ALogP
3
HBA
2
HBD
86.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.95 | 5.95 | 1120.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 9.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 1120.0 | nM | 5.95 | Displacement of [3H]MPEP from mGlu5 receptor | 17196387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17196387 | 10.1016/j.bmcl.2006.12.033 | Metabotropic glutamate receptor 5 | 2 |
| 17196387 | 10.1016/j.bmcl.2006.12.033 | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine