Compound Detail
CHEMBL1762515
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 | CHEMBL1762515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTONIABUVXDYLV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
0.86
ALogP
10
HBA
1
HBD
108.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.85 | 7.85 | 14.2 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.85 | 5.85 | 1405.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 14.2 | nM | 7.85 | Antagonist activity against human adenosine A2A receptor | 21398125 |
| Adenosine receptor A2a | Ki | = | 14.2 | nM | 7.85 | Inhibition of human recombinant adenosine receptor A2a | 24164628 |
| Adenosine receptor A1 | Ki | = | 1405.0 | nM | 5.85 | Inhibition of human recombinant adenosine A1 receptor | 24164628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21398125 | 10.1016/j.bmcl.2011.02.045 | No relevant target | 1 |
| 21398125 | 10.1016/j.bmcl.2011.02.045 | Unchecked | 1 |
| 21398125 | 10.1016/j.bmcl.2011.02.045 | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Unchecked | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2b | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A1 | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine