Compound Detail
CHEMBL199196
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 | CHEMBL199196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYXWZAGDXBXKMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.47
ALogP
7
HBA
2
HBD
105.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 4.9 | nM | 8.31 | Antagonist activity against human Adenosine A2b receptor | 16250640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250640 | 10.1021/jm049418o | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine