Compound Detail
CHEMBL2112579
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Basic Information
| ChEMBL ID | CHEMBL2112579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMDCRECBWCYQSU-NRAWUNKKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
-0.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity for Group II Metabotropic glutamate receptor in rat forebrai... | 9464366 |
| Metabotropic glutamate receptor 3 | IC50 | = | 2500.0 | nM | 5.6 | Ability to block 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AM... | 9464366 |
| Metabotropic glutamate receptor 2 | IC50 | = | 6500.0 | nM | 5.19 | Ability to block 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AM... | 9464366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9464366 | 10.1021/jm970497w | Unchecked | 1 |
| 9464366 | 10.1021/jm970497w | Metabotropic glutamate receptor 2 | 1 |
| 9464366 | 10.1021/jm970497w | Metabotropic glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine