Compound Detail
CHEMBL17013
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 | CHEMBL17013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNXJTIGSMUWUFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.76
ALogP
8
HBA
1
HBD
100.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 22.0 | nM | 7.66 | Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal ... | 8676354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676354 | 10.1021/jm950746l | Adenosine receptor A2a | 2 |
| 8676354 | 10.1021/jm950746l | Adenosine receptor A1 | 1 |
| 8676354 | 10.1021/jm950746l | Adenosine receptors; A1 & A2a | 1 |
Data from ChEMBL 36 via Core Engine