Compound Detail
CHEMBL484295
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
NC(=O)N[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL484295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJFHGGAQNNVYRH-XVFCMESISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
526.2
MW (Da)
-2.82
ALogP
12
HBA
8
HBD
299.3
PSA (Ų)
0.15
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 5.76 | 5.76 | 1740.0 | 1 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 5.33 | 5.33 | 4640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 1740.0 | nM | 5.76 | Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed... | 18514530 |
| P2Y purinoceptor 4 | EC50 | = | 4640.0 | nM | 5.33 | Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed... | 18514530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18514530 | 10.1016/j.bmc.2008.05.013 | P2Y purinoceptor 2 | 1 |
| 18514530 | 10.1016/j.bmc.2008.05.013 | P2Y purinoceptor 4 | 1 |
| 18514530 | 10.1016/j.bmc.2008.05.013 | P2Y purinoceptor 6 | 1 |
Data from ChEMBL 36 via Core Engine