Compound Detail
CHEMBL6056733
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N[C@]1(C(=O)O)[C@H]2[C@@H](C[C@H]1OCc1cccc(F)c1)[C@]2(F)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL6056733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKPDUULXXDPIGO-ZNLHFFCSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
0.94
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.56 | 7.56 | 27.8 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 7.12 | 7.12 | 75.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 27.8 | nM | 7.56 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
| Metabotropic glutamate receptor 3 | IC50 | = | 75.5 | nM | 7.12 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
Data from ChEMBL 36 via Core Engine