Compound Detail
CHEMBL3357575
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Basic Information
| ChEMBL ID | CHEMBL3357575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANBBLLOZDHXSOE-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.8
MW (Da)
4.10
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
EC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 CHEMBL2787 | IC50 | 8.38 | 8.38 | 4.2 | 2 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Metabotropic glutamate receptor 4 CHEMBL2736 | EC50 | 7.36 | 7.36 | 43.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 4 | IC50 | = | 4.2 | nM | 8.38 | Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 3... | 25330258 |
| Metabotropic glutamate receptor 4 | IC50 | = | 4.169 | nM | 8.38 | Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 3... | 25330258 |
| Metabotropic glutamate receptor 4 | IC50 | = | 11.0 | nM | 7.96 | Displacement of [3H]-N-(4-{[(2- Chlorophenyl)amino]sulfonyl} phenyl )pyridine-2-... | 25330258 |
| Metabotropic glutamate receptor 4 | EC50 | = | 43.6 | nM | 7.36 | Displacement of [3H]-N-(4-{[(2- Chlorophenyl)amino]sulfonyl} phenyl )pyridine-2-... | 25330258 |
| Metabotropic glutamate receptor 4 | EC50 | = | 43.6 | nM | 7.36 | Positive allosteric modulator activity at human mGlu4 receptor | 26231155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25330258 | 10.1021/jm501245b | Metabotropic glutamate receptor 4 | 5 |
| 26231155 | 10.1016/j.bmcl.2015.07.031 | Metabotropic glutamate receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine