Compound Detail
CHEMBL611882
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OC[C@H](Cc1ccccc1)Nc1nc(I)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL611882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAEGRIICEOKVOO-JOXGBPAOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
527.3
MW (Da)
0.06
ALogP
10
HBA
5
HBD
145.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.87 | 5.87 | 1360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 23.0 | nM | 7.64 | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA ... | - |
| Adenosine receptor A2a | Ki | = | 1360.0 | nM | 5.87 | Displacement of [3H]-CGS- 21680 from Adenosine A2 receptor of rat striatal membr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10177-9 | Adenosine receptor A1 | 1 |
| - | 10.1016/S0960-894X(97)10177-9 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine