Compound Detail
CHEMBL379791
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Basic Information
| ChEMBL ID | CHEMBL379791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTBLPAHUIUOYOL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.3
MW (Da)
1.90
ALogP
8
HBA
1
HBD
124.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 8.22 | 8.22 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes | 16789747 |
| Adenosine receptor A1 | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 recep... | 19301821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789747 | 10.1021/jm060373w | Adenosine receptor A2a | 1 |
| 16789747 | 10.1021/jm060373w | Adenosine receptor A1 | 1 |
| 16789747 | 10.1021/jm060373w | Adenosine receptor A3 | 1 |
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A3 | 1 |
| 19301821 | 10.1021/jm8014876 | Unchecked | 1 |
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine