Compound Detail
CHEMBL3577138
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CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3577138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZWNYZVVZXZRRH-QXLPFXRRSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
4.47
ALogP
8
HBA
4
HBD
165.6
PSA (Ų)
0.06
QED
1
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 CHEMBL3562166 | EC50 | 7.41 | 7.41 | 38.9 | 2 |
| Probable G-protein coupled receptor 34 CHEMBL3562165 | EC50 | 6.39 | 6.385 | 410.0 | 2 |
| Probable G-protein coupled receptor 174 CHEMBL3562167 | EC50 | 5.72 | 5.72 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 | EC50 | = | 39.0 | nM | 7.41 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Putative P2Y purinoceptor 10 | EC50 | = | 38.9 | nM | 7.41 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Probable G-protein coupled receptor 34 | EC50 | = | 410.0 | nM | 6.39 | Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Probable G-protein coupled receptor 34 | EC50 | = | 416.87 | nM | 6.38 | Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Probable G-protein coupled receptor 174 | EC50 | = | 1900.0 | nM | 5.72 | Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ... | 25970039 |
| Probable G-protein coupled receptor 174 | EC50 | = | 1905.46 | nM | 5.72 | Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ... | 25970039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 34 | 2 |
| 25970039 | 10.1021/jm5020082 | Putative P2Y purinoceptor 10 | 2 |
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 174 | 2 |
Data from ChEMBL 36 via Core Engine