Compound Detail
CHEMBL3577165
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CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H](C)[C@H](N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3577165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPBQIUXFMHESEL-NSHGMRRFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
3.53
ALogP
8
HBA
4
HBD
165.6
PSA (Ų)
0.11
QED
0
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 CHEMBL3562166 | EC50 | 6.15 | 6.15 | 708.0 | 2 |
| Probable G-protein coupled receptor 174 CHEMBL3562167 | EC50 | 5.81 | 5.805 | 1548.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 | EC50 | = | 710.0 | nM | 6.15 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Putative P2Y purinoceptor 10 | EC50 | = | 707.95 | nM | 6.15 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Probable G-protein coupled receptor 174 | EC50 | = | 1548.82 | nM | 5.81 | Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ... | 25970039 |
| Probable G-protein coupled receptor 174 | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ... | 25970039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25970039 | 10.1021/jm5020082 | Putative P2Y purinoceptor 10 | 2 |
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 174 | 2 |
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 34 | 1 |
Data from ChEMBL 36 via Core Engine