Compound Detail
CHEMBL2381640
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Basic Information
| ChEMBL ID | CHEMBL2381640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHBZYLUDOIQPFQ-RGDLXGNYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
-1.31
ALogP
4
HBA
3
HBD
117.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.96
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | EC50 | 9.96 | 9.96 | 0.1 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 5.18 | 5.18 | 6530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | EC50 | = | 0.11 | nM | 9.96 | Agonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 2 | EC50 | = | 0.16 | nM | 9.8 | Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 6 | IC50 | = | 1380.0 | nM | 5.86 | Antagonist activity at human mGlu6 receptor expressed in golden Syrian hamster A... | 23675965 |
| Metabotropic glutamate receptor 8 | EC50 | = | 6530.0 | nM | 5.18 | Agonist activity at human mGlu8 receptor expressed in golden Syrian hamster AV12... | 23675965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 8 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 6 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 3 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine