Compound Detail
CHEMBL5861876
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C=CCOC(=O)N[C@@]1(C(=O)O)[C@H](OCCC)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5861876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBMRVZCRORVBOW-BVDPADPGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
0.96
ALogP
5
HBA
3
HBD
122.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.12 | 7.12 | 75.1 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 6.49 | 6.49 | 321.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 75.1 | nM | 7.12 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
| Metabotropic glutamate receptor 3 | IC50 | = | 321.0 | nM | 6.49 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
Data from ChEMBL 36 via Core Engine