Compound Detail
CHEMBL440381
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Basic Information
| ChEMBL ID | CHEMBL440381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHQMAURBWFWJQF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.4
MW (Da)
2.01
ALogP
10
HBA
2
HBD
113.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 24.0 | nM | 7.62 | Binding affinity against Adenosine A2a receptor determined using [3H]ZM-241385 a... | 15341934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341934 | 10.1016/j.bmcl.2004.07.048 | Adenosine receptor A2a | 1 |
| 15341934 | 10.1016/j.bmcl.2004.07.048 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine