Compound Detail
CHEMBL4084619
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Basic Information
| ChEMBL ID | CHEMBL4084619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWIKQRMFPLJDJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.93
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | IC50 | 7.5 | 7.495 | 32.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.01 | - | Rattus norvegicus |
| Fu | 0.005 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 32.0 | nM | 7.5 | Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells ... | 28530802 |
| Metabotropic glutamate receptor 5 | IC50 | = | 32.36 | nM | 7.49 | Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells ... | 28530802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28530802 | 10.1021/acs.jmedchem.7b00410 | Metabotropic glutamate receptor 5 | 3 |
| 28530802 | 10.1021/acs.jmedchem.7b00410 | Plasma | 2 |
Data from ChEMBL 36 via Core Engine