Compound Detail
CHEMBL2206446
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Basic Information
| ChEMBL ID | CHEMBL2206446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCAXAUNEKJYCFA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.9
MW (Da)
5.01
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.03
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 8.03 | 8.03 | 9.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.01 | - | Rattus norvegicus |
| Fu | 0.01 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 7.3 | nM | 8.14 | Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membran... | 22992024 |
| Metabotropic glutamate receptor 2 | EC50 | = | 9.3 | nM | 8.03 | Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S... | 22992024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22992024 | 10.1021/jm300912k | Unchecked | 7 |
| 22992024 | 10.1021/jm300912k | Liver microsomes | 4 |
| 22992024 | 10.1021/jm300912k | Metabotropic glutamate receptor 2 | 3 |
| 22992024 | 10.1021/jm300912k | Plasma | 2 |
Data from ChEMBL 36 via Core Engine