Compound Detail
CHEMBL608275
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Basic Information
| ChEMBL ID | CHEMBL608275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDHDZFOKOBYFND-IPNXMKNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
-1.98
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P3 purinoceptor CHEMBL612413 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P3 purinoceptor | Ki | = | 450.0 | nM | 6.35 | Binding activity was evaluated on P3 purinoceptor-like protein from rat brain me... | 9667957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667957 | 10.1021/jm9802822 | P3 purinoceptor | 1 |
| 9667957 | 10.1021/jm9802822 | Adenosine receptor A1 | 1 |
| 9667957 | 10.1021/jm9802822 | Adenosine receptor A2a | 1 |
| 9667957 | 10.1021/jm9802822 | Adenosine receptor A2b | 1 |
| 9667957 | 10.1021/jm9802822 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine