Compound Detail
CHEMBL410594
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=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3OC(O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL410594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPDQGYIGIVCECG-YWGUVQAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
696.2
MW (Da)
-3.92
ALogP
19
HBA
10
HBD
369.8
PSA (Ų)
0.09
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 5.73 | 5.73 | 1880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 2 | EC50 | = | 1880.0 | nM | 5.73 | Agonist activity at human recombinant P2Y2 receptor expressed in 1321N1 cells as... | 17302398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17302398 | 10.1021/jm060903o | P2Y purinoceptor 2 | 1 |
| 17302398 | 10.1021/jm060903o | P2Y purinoceptor 4 | 1 |
| 17302398 | 10.1021/jm060903o | P2Y purinoceptor 6 | 1 |
Data from ChEMBL 36 via Core Engine