Compound Detail
CHEMBL354004
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Basic Information
| ChEMBL ID | CHEMBL354004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZAHMVTXFHMSNE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.92
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical... | 11262085 |
| Adenosine receptor A3 | Ki | = | 1200.0 | nM | 5.92 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK ... | 11262085 |
| Adenosine receptor A2a | Ki | = | 15000.0 | nM | 4.82 | Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A recept... | 11262085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262085 | 10.1021/jm0003945 | Adenosine receptor A1 | 1 |
| 11262085 | 10.1021/jm0003945 | Adenosine receptor A2a | 1 |
| 11262085 | 10.1021/jm0003945 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine