Compound Detail
CHEMBL607303
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 | CHEMBL607303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROQCRPVUAOXGQA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.10
ALogP
6
HBA
1
HBD
95.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 5.06 | 5.06 | 8783.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 5.47 | nM | 8.26 | Inhibition of [3H]CCPA binding to adenosine A1 receptor | 15771453 |
| Adenosine receptor A3 | Ki | = | 1700.0 | nM | 5.77 | Inhibition of [3H]PSB-11 binding to adenosine A3 receptor | 15771453 |
| Adenosine receptor A2a | Ki | = | 8783.0 | nM | 5.06 | Inhibition of [3H]MSX-2 binding to adenosine A2a receptor | 15771453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771453 | 10.1021/jm049513x | Adenosine receptor A2b | 2 |
| 15771453 | 10.1021/jm049513x | Adenosine receptor A1 | 1 |
| 15771453 | 10.1021/jm049513x | Adenosine receptor A2a | 1 |
| 15771453 | 10.1021/jm049513x | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine