Compound Detail
CHEMBL4090455
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N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(Br)cc2)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4090455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJDIOKOXWVZWFB-VWLOTQADSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
652.4
MW (Da)
5.23
ALogP
9
HBA
3
HBD
163.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 CHEMBL1075291 | EC50 | 7.09 | 7.09 | 81.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 | EC50 | = | 81.28 | nM | 7.09 | Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP... | 28715213 |
| Probable G-protein coupled receptor 34 | EC50 | = | 82.0 | nM | 7.09 | 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