Compound Detail
CHEMBL262604
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[C@@H]1[C@H](O)[C@@H](CF)O[C@H]1n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc21
Basic Information
| ChEMBL ID | CHEMBL262604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQOZYTAHVNDWES-CRMRRSEDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
1.02
ALogP
8
HBA
3
HBD
105.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 7.0 | nM | 8.15 | Agonist activity at adenosine A1 receptor assessed as inhibition of isoprotereno... | 18042389 |
| Adenosine receptor A1 | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells | 18042389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18042389 | 10.1016/j.bmc.2007.11.010 | Adenosine receptor A1 | 4 |
Data from ChEMBL 36 via Core Engine