Compound Detail
CHEMBL6002734
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CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@H](C)OC(=O)[C@@]1(N)[C@H]2[C@@H](C[C@H]1OCc1ccc(F)cc1)[C@@H]2C(=O)O
Basic Information
| ChEMBL ID | CHEMBL6002734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGEPFYVQFLRUIH-JQJCQAIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
4.26
ALogP
8
HBA
2
HBD
134.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 7.49 | 7.49 | 32.7 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL2888 | IC50 | 7.22 | 7.22 | 60.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 32.7 | nM | 7.49 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
| Metabotropic glutamate receptor 3 | IC50 | = | 60.5 | nM | 7.22 | GTPγS binding test: CHO cells stably expressing human metabotropic glutamate rec... | - |
Data from ChEMBL 36 via Core Engine