Compound Detail
CHEMBL4782438
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CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COCC)OP(=O)(O)OC[C@H](N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4782438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBVRPEHKCBAZPS-ZZKNSMQJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
5.52
ALogP
8
HBA
3
HBD
154.6
PSA (Ų)
0.05
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 CHEMBL1075291 | EC50 | 8.46 | 8.455 | 3.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable G-protein coupled receptor 34 | EC50 | = | 3.5 | nM | 8.46 | Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP... | 32787112 |
| Probable G-protein coupled receptor 34 | EC50 | = | 3.548 | nM | 8.45 | Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP... | 32787112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787112 | 10.1021/acs.jmedchem.0c01126 | Probable G-protein coupled receptor 34 | 4 |
| 32787112 | 10.1021/acs.jmedchem.0c01126 | Putative P2Y purinoceptor 10 | 4 |
Data from ChEMBL 36 via Core Engine