Compound Detail
CHEMBL313462
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Basic Information
| ChEMBL ID | CHEMBL313462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWMDCOLXJWHQCH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
1.01
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 600.0 | nM | 6.22 | Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PI... | 8410976 |
| Adenosine receptor A2a | Ki | = | 2800.0 | nM | 5.55 | Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]C... | 8410976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410976 | 10.1021/jm00070a007 | Adenosine receptor A1 | 1 |
| 8410976 | 10.1021/jm00070a007 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine