Compound Detail
CHEMBL2373946
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
C[S+]([O-])c1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@]4(COP(=O)(O)O)C[C@H]34)c2n1
Basic Information
| ChEMBL ID | CHEMBL2373946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMRRMPNKZOUNCK-NLFJUCFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
-1.46
ALogP
10
HBA
5
HBD
199.9
PSA (Ų)
0.22
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 1 CHEMBL5720 | EC50 | 7.44 | 7.44 | 36.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 1 | EC50 | = | 36.6 | nM | 7.44 | Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte m... | 11985476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11985476 | 10.1021/jm010538v | P2Y purinoceptor 1 | 2 |
Data from ChEMBL 36 via Core Engine