Compound Detail
CHEMBL340674
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
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL340674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWOHSJYESLDLLT-MEQWQQMJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
-0.48
ALogP
10
HBA
5
HBD
160.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 2.2 | nM | 8.66 | In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. | 10714510 |
| Adenosine receptor A1 | Ki | = | 80.0 | nM | 7.1 | Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor. | 10714510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10714510 | 10.1016/s0960-894x(00)00017-2 | Adenosine receptor A2a | 1 |
| 10714510 | 10.1016/s0960-894x(00)00017-2 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine