Compound Detail
CHEMBL1800357
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Basic Information
| ChEMBL ID | CHEMBL1800357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVDILSXPBZQZOY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
2.49
ALogP
6
HBA
2
HBD
88.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.0
Ki 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Adenosine receptor A2a CHEMBL251 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expres... | 21661720 |
| Adenosine receptor A2a | Kd | = | 1000.0 | nM | 6.0 | Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expres... | 21661720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21661720 | 10.1021/jm2003798 | Adenosine receptor A2a | 9 |
Data from ChEMBL 36 via Core Engine