Compound Detail
CHEMBL445664
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 | CHEMBL445664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOIWVFDTYCBKFB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
0.55
ALogP
7
HBA
1
HBD
76.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.36 | 6.36 | 440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 440.0 | nM | 6.36 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 16366607 |
| Adenosine receptor A3 | Ki | = | 440.0 | nM | 6.36 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 18269230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16366607 | 10.1021/jm050792d | Adenosine receptor A1 | 1 |
| 16366607 | 10.1021/jm050792d | Adenosine receptor A2a | 1 |
| 16366607 | 10.1021/jm050792d | Adenosine receptor A3 | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A1 | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A2a | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine