Compound Detail
CHEMBL605068
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
O=S(=O)(c1ccccc1)c1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL605068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDGAMFPCQKOHBT-FIALEDGQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
0.63
ALogP
11
HBA
4
HBD
159.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.02 | 7.02 | 96.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 96.0 | nM | 7.02 | Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of ... | 2754691 |
| Adenosine A2 receptor | Ki | = | 2300.0 | nM | 5.64 | Inhibition of binding of [3H]NECA to adenosine A2 receptor of rat striatal membr... | 2754691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2754691 | 10.1021/jm00128a002 | Adenosine receptor A1 | 1 |
| 2754691 | 10.1021/jm00128a002 | Adenosine A2 receptor | 1 |
| 2754691 | 10.1021/jm00128a002 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine