Compound Detail
CHEMBL5797360
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N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1OCc1cc[nH]c(=O)c1)[C@]2(F)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5797360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLSMUHMCZSVHHK-IAHPCQQPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
-0.52
ALogP
5
HBA
4
HBD
142.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 8.36 | 8.36 | 4.3 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.43 | 7.43 | 37.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | IC50 | = | 4.35 | nM | 8.36 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 37.3 | nM | 7.43 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
Data from ChEMBL 36 via Core Engine