Compound Detail
CHEMBL461033
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Basic Information
| ChEMBL ID | CHEMBL461033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFCBVJGIYXXZBZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.30
ALogP
6
HBA
0
HBD
69.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL2892 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 590.0 | nM | 6.23 | Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium f... | 18849168 |
| Metabotropic glutamate receptor 1 | IC50 | = | 1600.0 | nM | 5.8 | Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium f... | 18849168 |
| Metabotropic glutamate receptor 5 | IC50 | = | 4000.0 | nM | 5.4 | Antagonist activity at human mGluR5 expressed in CHO cells assessed as calcium f... | 18849168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18849168 | 10.1016/j.bmc.2008.09.060 | Metabotropic glutamate receptor 1 | 2 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | Metabotropic glutamate receptor 5 | 1 |
| 18849168 | 10.1016/j.bmc.2008.09.060 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine