Compound Detail
CHEMBL183081
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Basic Information
| ChEMBL ID | CHEMBL183081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAQODRYELYCKDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
1.01
ALogP
5
HBA
2
HBD
93.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 56.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 20.0 | % | Rattus norvegicus |
| T1/2 | 4.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 28.0 | nM | 7.55 | Inhibitory concentration against human recombinant metabotropic glutamate recept... | 15686941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686941 | 10.1016/j.bmcl.2004.11.078 | ADMET | 3 |
| 15686941 | 10.1016/j.bmcl.2004.11.078 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine