Compound Detail
CHEMBL443485
5'-Deoxyadenosine 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 | CHEMBL443485 |
| Name | 5'-Deoxyadenosine |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGYIMTFOTBMPFP-KQYNXXCUSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.95
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.57
Kd 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.57 | 5.7433 | 269.0 | 3 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.22 | 6.22 | 596.0 | 1 |
| Adenosine receptor A3 CHEMBL3360 | Ki | 5.55 | 5.55 | 2830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 269.0 | nM | 6.57 | Binding affinity to adenosine A1 receptor in rat brain membranes by measuring di... | 7707320 |
| Adenosine receptor A2a | Ki | = | 596.0 | nM | 6.22 | Binding affinity to adenosine A2A receptor in rat striatal membranes by measurin... | 7707320 |
| Adenosine receptor A1 | Ki | = | 1820.0 | nM | 5.74 | Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [... | 7562934 |
| Adenosine receptor A3 | Ki | = | 2830.0 | nM | 5.55 | Binding affinity determined by displacement of specific binding of [125I]N-(4-am... | 7707320 |
| Adenosine receptor A1 | Ki | = | 12100.0 | nM | 4.92 | Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using ... | 7562934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9135038 | 10.1021/jm960770e | Vero | 5 |
| 9135038 | 10.1021/jm960770e | HeLa | 4 |
| 15911263 | 10.1016/j.bmcl.2005.03.107 | S-methyl-5'-thioadenosine phosphorylase | 3 |
| 7562934 | 10.1021/jm00020a014 | Adenosine receptor A1 | 2 |
| 27119979 | 10.1021/acs.jmedchem.5b02001 | Heat shock cognate 71 kDa protein | 2 |
| 7562934 | 10.1021/jm00020a014 | Rattus norvegicus | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A1 | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A2a | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine