Compound Detail
CHEMBL610971
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OC[C@H](Cc1ccccc1)Nc1nc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL610971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPNRHMKJJKJRCL-JOXGBPAOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.9
MW (Da)
0.11
ALogP
10
HBA
5
HBD
145.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.31 | 6.31 | 492.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 2.41 | nM | 8.62 | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA ... | - |
| Adenosine receptor A2a | Ki | = | 492.0 | nM | 6.31 | 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