Compound Detail
CHEMBL2374465
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(NCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2374465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKEMQEHNMNMOKS-KSVNGYGVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
-0.04
ALogP
10
HBA
5
HBD
160.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.3 | 6.3 | 502.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | Ki | = | 14.0 | nM | 7.85 | Binding to Adenosine A2 receptor was measured in ADA-pretreated rat striatal mem... | 2362269 |
| Adenosine receptor A1 | Ki | = | 502.0 | nM | 6.3 | Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreat... | 2362269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362269 | 10.1021/jm00169a015 | Adenosine receptor A1 | 1 |
| 2362269 | 10.1021/jm00169a015 | Adenosine A2 receptor | 1 |
| 2362269 | 10.1021/jm00169a015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine