Compound Detail
CHEMBL567801
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Basic Information
| ChEMBL ID | CHEMBL567801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDBXBADUAMLWQV-SDBHATRESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
0.44
ALogP
10
HBA
4
HBD
139.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.86 | 6.86 | 139.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.61 | 5.495 | 2480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 139.0 | nM | 6.86 | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membra... | 19580286 |
| Adenosine receptor A2a | Ki | = | 2480.0 | nM | 5.61 | Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal m... | 19580286 |
| Adenosine receptor A2a | Ki | = | 4130.0 | nM | 5.38 | Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal memb... | 19580286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19580286 | 10.1021/jm900538v | Adenosine receptor A2a | 2 |
| 19580286 | 10.1021/jm900538v | Adenosine receptor A3 | 1 |
| 19580286 | 10.1021/jm900538v | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine