Compound Detail
CHEMBL2204445
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2204445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSLWUPHHCFQTDB-LJQANCHMSA-N |
1
Targets
3
Activities
1
Assay Types
7
PK Parameters
15
Publications
1
Known Names
Molecular Properties
349.4
MW (Da)
2.94
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 6.18 | 5.9433 | 660.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 571.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 240.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.01 | - | Rattus norvegicus |
| Fu | 0.02 | - | Homo sapiens |
| Fu | 0.01 | - | Rattus norvegicus |
| T1/2 | 0.28 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | IC50 | = | 660.0 | nM | 6.18 | Negative allosteric modulation of mGlu3 assessed as inhibition of glutamate-indu... | 22607673 |
| Metabotropic glutamate receptor 3 | IC50 | = | 1479.11 | nM | 5.83 | Negative allosteric modulation of mGlu3 assessed as thallium flux through GIRK c... | 22607673 |
| Metabotropic glutamate receptor 3 | IC50 | = | 1500.0 | nM | 5.82 | Negative allosteric modulation of mGlu3 assessed as thallium flux through GIRK c... | 22607673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Metabotropic glutamate receptor 3 | 5 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Metabotropic glutamate receptor 5 | 3 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Plasma | 3 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Rattus norvegicus | 3 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | ADMET | 2 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Brain | 2 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Liver microsomes | 2 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Nucleic Acid | 1 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Unchecked | 1 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Cytochrome P450 1A2 | 1 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Cytochrome P450 2D6 | 1 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Cytochrome P450 2C9 | 1 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Cytochrome P450 3A4 | 1 |
| 22607673 | 10.1016/j.bmcl.2012.04.112 | Metabotropic glutamate receptor 2 | 1 |
| 23718281 | 10.1021/jm400439t | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine