Compound Detail
CHEMBL1671932
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 | CHEMBL1671932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJBNIWCMOWPAQD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.78
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in hig... | 21210664 |
| Adenosine receptor A1 | Ki | = | 340.0 | nM | 6.47 | Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cel... | 21210664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21210664 | 10.1021/jm1008659 | Adenosine receptor A1 | 1 |
| 21210664 | 10.1021/jm1008659 | Adenosine receptor A2a | 1 |
| 21210664 | 10.1021/jm1008659 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine