Compound Detail
CHEMBL3577262
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CCCCCCCCCCCOc1ccccc1CCC(=O)OCC(F)(F)COP(=O)(O)OC[C@H](N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3577262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVTWQEXFPZBCJA-QFIPXVFZSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
581.6
MW (Da)
5.25
ALogP
8
HBA
3
HBD
154.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 CHEMBL3562168 | EC50 | 8.82 | 8.82 | 1.5 | 2 |
| Putative P2Y purinoceptor 10 CHEMBL3562166 | EC50 | 8.71 | 8.5925 | 1.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 | EC50 | = | 1.5 | nM | 8.82 | Agonist activity at mouse LPS2/P2Y10 transfected in HEK293-A cells co-transfecte... | 36965226 |
| Putative P2Y purinoceptor 10 | EC50 | = | 1.514 | nM | 8.82 | Agonist activity at mouse LPS2/P2Y10 transfected in HEK293-A cells co-transfecte... | 36965226 |
| Putative P2Y purinoceptor 10 | EC50 | = | 1.95 | nM | 8.71 | Agonist activity at human LPS2/P2Y10 transfected in HEK293-A cells co-transfecte... | 36965226 |
| Putative P2Y purinoceptor 10 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human LPS2/P2Y10 transfected in HEK293-A cells co-transfecte... | 36965226 |
| Putative P2Y purinoceptor 10 | EC50 | = | 3.3 | nM | 8.48 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
| Putative P2Y purinoceptor 10 | EC50 | = | 3.311 | nM | 8.48 | Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ... | 25970039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36965226 | 10.1016/j.ejmech.2023.115271 | Putative P2Y purinoceptor 10 | 6 |
| 25970039 | 10.1021/jm5020082 | Putative P2Y purinoceptor 10 | 3 |
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 34 | 1 |
| 25970039 | 10.1021/jm5020082 | Probable G-protein coupled receptor 174 | 1 |
Data from ChEMBL 36 via Core Engine