Compound Detail
CHEMBL439336
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL439336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEZSQJIGMFDZRT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
2.66
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.16 | 7.16 | 68.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 68.5 | nM | 7.16 | Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 a... | 15808481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808481 | 10.1016/j.bmcl.2005.02.031 | Adenosine receptor A2a | 1 |
| 15808481 | 10.1016/j.bmcl.2005.02.031 | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine