Compound Detail
CHEMBL392989
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
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](c2nc3c(F)cc(Cl)cc3s2)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL392989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZDFJQYCJSIIQR-FOBYXSAKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
1.59
ALogP
11
HBA
6
HBD
222.4
PSA (Ų)
0.25
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 5.37 | 5.37 | 4233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 7.0 | nM | 8.15 | Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay | 17079144 |
| P2Y purinoceptor 4 | EC50 | = | 4233.0 | nM | 5.37 | Agonist activity at human cloned P2Y4 receptor expressed in human 1321N1 by FLIP... | 17079144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17079144 | 10.1016/j.bmcl.2006.10.038 | P2Y purinoceptor 2 | 1 |
| 17079144 | 10.1016/j.bmcl.2006.10.038 | P2Y purinoceptor 1 | 1 |
| 17079144 | 10.1016/j.bmcl.2006.10.038 | P2Y purinoceptor 4 | 1 |
| 17079144 | 10.1016/j.bmcl.2006.10.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine