Compound Detail
CHEMBL438046
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=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3c1nc1n3[C@@H]3O[C@H](CO1)[C@@H](O)[C@H]3O)CC2
Basic Information
| ChEMBL ID | CHEMBL438046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFHZJEJEAXNWKZ-SCFUHWHPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
0.31
ALogP
11
HBA
2
HBD
148.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.48
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | Ki | 7.72 | 7.72 | 18.9 | 1 |
| Equilibrative nucleoside transporter 1 CHEMBL1997 | IC50 | 6.48 | 6.48 | 331.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | Ki | = | 18.89 | nM | 7.72 | Displacement of 5-(SAENTA)-X8-fluorescein from human ENT1 transporter in human K... | 18289860 |
| Equilibrative nucleoside transporter 1 | IC50 | = | 331.13 | nM | 6.48 | Binding affinity to ENT1 transporter | 18289860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18289860 | 10.1016/j.bmc.2008.01.044 | Equilibrative nucleoside transporter 1 | 2 |
Data from ChEMBL 36 via Core Engine