Compound Detail
CHEMBL231991
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Basic Information
| ChEMBL ID | CHEMBL231991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLXDREZJLZGNTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
4.22
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 4200.0 | nM | 5.38 | Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of ... | 17590335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17590335 | 10.1016/j.bmcl.2007.06.030 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine