Compound Detail
CHEMBL5398524
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CC(C)(C)c1cc(-c2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)cc(C(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL5398524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQPHXUKSKNLAOZ-HKBQPEDESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
669.8
MW (Da)
6.94
ALogP
8
HBA
3
HBD
154.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 CHEMBL3562168 | EC50 | 7.56 | 7.555 | 27.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Putative P2Y purinoceptor 10 | EC50 | = | 27.54 | nM | 7.56 | Agonist activity at mouse LPS2/P2Y10 transfected in HEK293-A cells co-transfecte... | 36965226 |
| Putative P2Y purinoceptor 10 | EC50 | = | 28.0 | nM | 7.55 | 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 |
| 36965226 | 10.1016/j.ejmech.2023.115271 | Probable G-protein coupled receptor 34 | 2 |
Data from ChEMBL 36 via Core Engine