Compound Detail
CHEMBL398083
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Basic Information
| ChEMBL ID | CHEMBL398083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCXCGYNVNMJBKH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.3
MW (Da)
3.38
ALogP
8
HBA
1
HBD
100.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 4.6 | nM | 8.34 | Antagonist activity at human adenosine A2A receptor | 17234414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234414 | 10.1016/j.bmcl.2006.12.104 | Adenosine receptor A2a | 1 |
| 17234414 | 10.1016/j.bmcl.2006.12.104 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine