Compound Detail
CHEMBL226833
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Basic Information
| ChEMBL ID | CHEMBL226833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPRWMFBUBORXIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
2.20
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 1890.0 | nM | 5.72 | Antagonist activity at human mGluR5 receptor expressed in CHOK1 cells assessed a... | 17569516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17569516 | 10.1021/jm070078r | Metabotropic glutamate receptor 5 | 1 |
| 17569516 | 10.1021/jm070078r | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine