Compound Detail
CHEMBL3235279
CAPADENOSON 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3235279 |
| Name | CAPADENOSON |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CITWCLNVRIKQAF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
2
Indications
1
Mechanisms
Molecular Properties
520.0
MW (Da)
5.51
ALogP
9
HBA
2
HBD
128.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Adenosine A1 receptor partial agonist | PARTIAL AGONIST | Adenosine receptor A1 | ✓ | ✓ |
Indications
Angina, Stable Atrial Fibrillation
Activity Summary
EC50 2 meas. best 10.0
Ki 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | EC50 | 10.0 | 9.48 | 0.1 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.5 | 5.5 | 3188.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | EC50 | = | 0.1 | nM | 10.0 | Agonist activity at adenosine A1 receptor (unknown origin) expressed in CHO cell... | 24669958 |
| Adenosine receptor A1 | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes ... | 26210506 |
| Adenosine receptor A1 | Ki | = | 1.4 | nM | 8.85 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 26210506 |
| Sodium-dependent dopamine transporter | Ki | = | 3188.6 | nM | 5.5 | PDSP Secondary Binding target: SLC6A3 - Compounds are tested at 10 uM concentrat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 10 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 10 |
| - | 10.6019/CHEMBL5058564 | U2OS | 9 |
| 26210506 | 10.1016/j.ejmech.2015.07.023 | Adenosine receptor A1 | 8 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| 24669958 | 10.1021/jm401643m | Adenosine receptor A1 | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
Data from ChEMBL 36 via Core Engine