Compound Detail
CHEMBL1784904
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)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](F)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1784904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDFAEUCMIWFSPP-SAINOKEESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
1
Known Names
Molecular Properties
728.2
MW (Da)
-3.58
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 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 4 CHEMBL2123 | EC50 | 7.21 | 7.21 | 62.0 | 1 |
| P2Y purinoceptor 2 CHEMBL4398 | EC50 | 6.15 | 6.15 | 710.0 | 1 |
| P2Y purinoceptor 6 CHEMBL4714 | EC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 4 | EC50 | = | 62.0 | nM | 7.21 | Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 ce... | 21528910 |
| P2Y purinoceptor 2 | EC50 | = | 710.0 | nM | 6.15 | Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 ce... | 21528910 |
| P2Y purinoceptor 6 | EC50 | = | 950.0 | nM | 6.02 | Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 ce... | 21528910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21528910 | 10.1021/jm101591j | P2Y purinoceptor 2 | 2 |
| 21528910 | 10.1021/jm101591j | P2Y purinoceptor 4 | 1 |
| 21528910 | 10.1021/jm101591j | P2Y purinoceptor 6 | 1 |
| 21528910 | 10.1021/jm101591j | Unchecked | 1 |
| 21528910 | 10.1021/jm101591j | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine