Compound Detail
CHEMBL595547
5'-CARBOXY ADENOSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL595547 |
| Name | 5'-CARBOXY ADENOSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBYWUFHJUDTSOC-SOVPELCUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
281.2
MW (Da)
-1.89
ALogP
9
HBA
4
HBD
156.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.1 | 6.1 | 796.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.83 | 5.83 | 1480.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.13 | 5.13 | 7340.0 | 1 |
| Ribonuclease pancreatic CHEMBL6091 | Ki | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | Ki | = | 410.0 | nM | 6.39 | Inhibition of S-adenosyl-L-homocysteine hydrolase, inactivation rate constant. | 8863793 |
| Sigma intracellular receptor 2 | Ki | = | 796.0 | nM | 6.1 | Inhibition of sigma receptor 2 (unknown origin) | 30605331 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1480.0 | nM | 5.83 | Inhibition of sigma receptor 1 (unknown origin) | 30605331 |
| Unchecked | Ki | = | 7340.0 | nM | 5.13 | Inhibition of rat benzodiazepine receptor | 30605331 |
| Ribonuclease pancreatic | Ki | = | 67000.0 | nM | 4.17 | Competitive inhibition of bovine pancreatic RNase A ribonucleolytic activity of ... | 21041096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863793 | 10.1021/jm960313y | Adenosylhomocysteinase | 3 |
| 21041096 | 10.1016/j.bmc.2010.10.005 | Ribonuclease pancreatic | 3 |
| 33738064 | 10.1021/acsmedchemlett.0c00509 | Endoplasmin | 3 |
| 33738064 | 10.1021/acsmedchemlett.0c00509 | Heat shock protein HSP 90-alpha | 3 |
| 19674907 | 10.1016/j.bmc.2009.07.056 | Unchecked | 1 |
| 21044841 | 10.1016/j.bmcl.2010.10.014 | Trichomonas vaginalis | 1 |
| 30605331 | 10.1021/acs.jmedchem.8b01662 | Adenosine receptor A1 | 1 |
| 30605331 | 10.1021/acs.jmedchem.8b01662 | Adenosine receptor A3 | 1 |
| 30605331 | 10.1021/acs.jmedchem.8b01662 | Sigma intracellular receptor 2 | 1 |
| 30605331 | 10.1021/acs.jmedchem.8b01662 | Sigma non-opioid intracellular receptor 1 | 1 |
| 30605331 | 10.1021/acs.jmedchem.8b01662 | Adenosine receptor A2a | 1 |
| 30605331 | 10.1021/acs.jmedchem.8b01662 | Unchecked | 1 |
| 33730624 | 10.1016/j.ejmech.2021.113318 | Serine/threonine-protein kinase haspin | 1 |
Data from ChEMBL 36 via Core Engine