Compound Detail
CHEMBL4758243
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CCOC[C@H](COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)OP(=O)(O)OC[C@H](N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4758243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWIBLZZVGUIXAU-SXOMAYOGSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
617.6
MW (Da)
4.48
ALogP
10
HBA
3
HBD
173.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 CHEMBL1075291 | EC50 | 8.3 | 8.3 | 5.0 | 2 |
| Probable G-protein coupled receptor 34 CHEMBL3562165 | EC50 | 7.87 | 7.86 | 13.5 | 2 |
| G protein-coupled receptor 34b CHEMBL4739857 | EC50 | 5.93 | 5.925 | 1174.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP... | 32787112 |
| Probable G-protein coupled receptor 34 | EC50 | = | 5.012 | nM | 8.3 | Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP... | 32787112 |
| Probable G-protein coupled receptor 34 | EC50 | = | 13.49 | nM | 7.87 | Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP... | 32787112 |
| Probable G-protein coupled receptor 34 | EC50 | = | 14.0 | nM | 7.85 | Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP... | 32787112 |
| G protein-coupled receptor 34b | EC50 | = | 1174.9 | nM | 5.93 | Agonist activity at zebrafish GPR34 type b expressed in HEK293 cells co-transfec... | 32787112 |
| G protein-coupled receptor 34b | EC50 | = | 1200.0 | nM | 5.92 | Agonist activity at zebrafish GPR34 type b expressed in HEK293 cells co-transfec... | 32787112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787112 | 10.1021/acs.jmedchem.0c01126 | Probable G-protein coupled receptor 34 | 7 |
| 32787112 | 10.1021/acs.jmedchem.0c01126 | Putative P2Y purinoceptor 10 | 4 |
| 32787112 | 10.1021/acs.jmedchem.0c01126 | G protein-coupled receptor 34a | 3 |
| 32787112 | 10.1021/acs.jmedchem.0c01126 | G protein-coupled receptor 34b | 3 |
Data from ChEMBL 36 via Core Engine