Compound Detail
CHEMBL3597599
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Basic Information
| ChEMBL ID | CHEMBL3597599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJXUZADENOKCTO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.8
MW (Da)
4.09
ALogP
5
HBA
0
HBD
83.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 6.55 | 6.55 | 283.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 283.1 | nM | 6.55 | Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Re... | 26014480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26014480 | 10.1016/j.bmc.2015.05.008 | Metabotropic glutamate receptor 5 | 1 |
| 26014480 | 10.1016/j.bmc.2015.05.008 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine