Compound Detail
CHEMBL449329
DEOXYADENOSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL449329 |
| Name | DEOXYADENOSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLXZPDWKRNYJJZ-RRKCRQDMSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.95
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Ki 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.64 | 5.8 | 230.0 | 2 |
| Adenylate cyclase type 5 CHEMBL2880 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.63 | 4.63 | 23300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Compound along with 10 uM of erythro-9-(2-hydroxy-3-nonyl)adenine (EHNA) was tes... | 3874961 |
| Unchecked | Ki | = | 230.0 | nM | 6.64 | Inhibition of Trypanosoma brucei brucei 427 P2 transporter-mediated [3H]adenosin... | 17698622 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membra... | 19731917 |
| Adenylate cyclase type 5 | IC50 | = | 15000.0 | nM | 4.82 | Compound was evaluated for inhibition of adenylate cyclase from rat brain | 14971900 |
| Adenosine receptor A1 | Ki | = | 23300.0 | nM | 4.63 | Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using ... | 7562934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3497272 | 10.1021/jm00391a003 | MT4 | 6 |
| 18570408 | 10.1021/jm800134t | Unchecked | 6 |
| 18570408 | 10.1021/jm800134t | Deoxycytidine kinase | 6 |
| 10673097 | 10.1016/s0960-894x(99)00639-3 | Adenosine deaminase | 4 |
| 17526755 | 10.1128/aac.00081-07 | Deoxyadenosine kinase | 4 |
| 8176708 | 10.1021/jm00035a010 | HEL | 4 |
| 19731917 | 10.1021/jm9006356 | Unchecked | 4 |
| 8176708 | 10.1021/jm00035a010 | MDCK | 3 |
| 3874961 | 10.1021/jm00146a020 | Unchecked | 2 |
| 3497272 | 10.1021/jm00391a003 | ATH-8 cell line | 2 |
| 1335077 | 10.1021/jm00102a010 | Coxsackievirus B4 | 2 |
| 1335077 | 10.1021/jm00102a010 | Vesicular stomatitis virus | 2 |
| 17698622 | 10.1128/aac.00425-07 | Unchecked | 2 |
| 1331461 | 10.1021/jm00100a029 | Thymidine kinase, cytosolic | 2 |
| 8176708 | 10.1021/jm00035a010 | ADMET | 2 |
| 2754702 | 10.1021/jm00128a017 | No relevant target | 1 |
| 8176708 | 10.1021/jm00035a010 | HeLa | 1 |
| 8176708 | 10.1021/jm00035a010 | ESM | 1 |
| 34213340 | 10.1021/acs.jmedchem.1c00790 | No relevant target | 1 |
| 8176708 | 10.1021/jm00035a010 | Vaccinia virus | 1 |
Data from ChEMBL 36 via Core Engine