Compound Detail
CHEMBL1783874
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Basic Information
| ChEMBL ID | CHEMBL1783874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAYHTEHJUHRFSA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
3
PK Parameters
8
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
3.69
ALogP
6
HBA
1
HBD
59.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 427.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 16.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Ki | = | 0.6 | nM | 9.22 | Antagonist activity at rat mGluR1 | 19433355 |
| Metabotropic glutamate receptor 1 | IC50 | = | 0.9 | nM | 9.05 | Antagonist activity at human mGluR1 | 19433355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Rattus norvegicus | 4 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Metabotropic glutamate receptor 1 | 2 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Caco-2 | 1 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | ADMET | 1 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Brain | 1 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Nucleic Acid | 1 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine