Compound Detail
CHEMBL577729
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Basic Information
| ChEMBL ID | CHEMBL577729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWZHEOSSJGFKBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.60
ALogP
6
HBA
1
HBD
85.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 2.4 | nM | 8.62 | Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR ass... | 19674894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19674894 | 10.1016/j.bmcl.2009.07.097 | Metabotropic glutamate receptor 1 | 1 |
| 19674894 | 10.1016/j.bmcl.2009.07.097 | Metabotropic glutamate receptor 5 | 1 |
| 19674894 | 10.1016/j.bmcl.2009.07.097 | Liver microsomes | 1 |
| 19674894 | 10.1016/j.bmcl.2009.07.097 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine