Compound Detail
CHEMBL5938305
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COc1cc([C@@H](C)O[C@@H]2C[C@@H]3[C@H]([C@]2(N)C(=O)O)[C@@]3(F)C(=O)O)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5938305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHWZAFAIQMVWBH-PMBRKYLFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
1.51
ALogP
5
HBA
3
HBD
119.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | IC50 | = | 5.04 | nM | 8.3 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 5.22 | nM | 8.28 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
Data from ChEMBL 36 via Core Engine