Compound Detail
CHEMBL473431
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Basic Information
| ChEMBL ID | CHEMBL473431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNNNMFPJHIXPES-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
2.89
ALogP
9
HBA
1
HBD
92.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 50.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 0.9 | nM | 9.05 | Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK2... | 19109019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19109019 | 10.1016/j.bmcl.2008.11.075 | Adenosine receptor A2a | 1 |
| 19109019 | 10.1016/j.bmcl.2008.11.075 | Unchecked | 1 |
| 19109019 | 10.1016/j.bmcl.2008.11.075 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine