Compound Detail
CHEMBL4082629
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CCc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4082629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDJHQZDENHWXGK-MHZLTWQESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.6
MW (Da)
5.03
ALogP
9
HBA
3
HBD
163.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 CHEMBL1075291 | EC50 | 6.75 | 6.75 | 177.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 | EC50 | = | 180.0 | nM | 6.75 | Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP... | 28715213 |
| Probable G-protein coupled receptor 34 | EC50 | = | 177.83 | nM | 6.75 | Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP... | 28715213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28715213 | 10.1021/acs.jmedchem.7b00693 | Probable G-protein coupled receptor 34 | 4 |
Data from ChEMBL 36 via Core Engine