Compound Detail
CHEMBL2364570
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OC[C@H]1O[C@@H](n2cnc3c(N[C@H]4CC5CC4C4OC54)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2364570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NONUAFMNQOSNMV-OAVAPUNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
-0.97
ALogP
10
HBA
4
HBD
138.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | EC50 | 9.09 | 9.09 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | EC50 | = | 0.81 | nM | 9.09 | Compound was evaluated for the Adenosine A1 receptor agonist potency. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00111-4 | Adenosine receptor A1 | 1 |
| - | 10.1016/0960-894X(96)00111-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine