Compound Detail
CHEMBL2112580
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Basic Information
| ChEMBL ID | CHEMBL2112580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTCOBNYITGJGFH-RNWUTADCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
1.61
ALogP
4
HBA
3
HBD
105.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibitory activity for Group II Metabotropic glutamate receptor in rat forebrai... | 9464366 |
| Metabotropic glutamate receptor 3 | IC50 | = | 1200.0 | nM | 5.92 | Ability to block 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AM... | 9464366 |
| Metabotropic glutamate receptor 2 | IC50 | = | 1400.0 | nM | 5.85 | 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