Compound Detail
CHEMBL4099594
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1OCc1cccc(-c2ccccc2)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4099594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZWSIUJUBUKZIY-VWLOTQADSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
557.5
MW (Da)
4.34
ALogP
8
HBA
3
HBD
154.6
PSA (Ų)
0.13
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 CHEMBL3562168 | EC50 | 8.24 | 8.24 | 5.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 | EC50 | = | 5.7 | nM | 8.24 | Agonist activity at mouse LPS2/P2Y10 transfected in HEK293-A cells co-transfecte... | 36965226 |
| Putative P2Y purinoceptor 10 | EC50 | = | 5.754 | nM | 8.24 | Agonist activity at mouse LPS2/P2Y10 transfected in HEK293-A cells co-transfecte... | 36965226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36965226 | 10.1016/j.ejmech.2023.115271 | Putative P2Y purinoceptor 10 | 3 |
| 28715213 | 10.1021/acs.jmedchem.7b00693 | Probable G-protein coupled receptor 34 | 2 |
| 36965226 | 10.1016/j.ejmech.2023.115271 | Probable G-protein coupled receptor 34 | 2 |
Data from ChEMBL 36 via Core Engine