Compound Detail
CHEMBL2313274
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Basic Information
| ChEMBL ID | CHEMBL2313274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACPTZWYCGODGER-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
0.72
ALogP
7
HBA
1
HBD
87.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 6.05 | 6.05 | 886.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 886.8 | nM | 6.05 | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK2... | 23281824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23281824 | 10.1021/jm301686s | Amine oxidase [flavin-containing] B | 1 |
| 23281824 | 10.1021/jm301686s | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine