Compound Detail
CHEMBL606511
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CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL606511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCGNZRHLIYTBKW-ILQWGMHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
733.8
MW (Da)
0.66
ALogP
14
HBA
8
HBD
251.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 13.0 | nM | 7.89 | Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 recepto... | 2993623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2993623 | 10.1021/jm00147a039 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine