Compound Detail
CHEMBL390976
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
Nc1nc(N2CCN3C[C@@H](CNCc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12
Basic Information
| ChEMBL ID | CHEMBL390976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUWUNBIALAFOFR-MSOLQXFVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
1.45
ALogP
11
HBA
2
HBD
126.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 51.0 | nM | 7.29 | Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane | 15566292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566292 | 10.1021/jm0494321 | Adenosine receptor A2a | 1 |
| 15566292 | 10.1021/jm0494321 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine