Compound Detail
CHEMBL592435
DERENOFYLLINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL592435 |
| Name | DERENOFYLLINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RBZNJGHIKXAKQE-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
308.4
MW (Da)
3.34
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Adenosine A1 receptor antagonist | ANTAGONIST | Adenosine receptor A1 | ✓ | ✓ |
Indications
Heart Failure
Activity Summary
Ki 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.4 | 6.4 | 398.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 6.3 | 6.3 | 501.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 5.4 | 5.4 | 3981.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1.0 | nM | 9.0 | Binding affinity to human adenosine A1 receptor | 20188574 |
| Adenosine receptor A1 | Ki | = | 2.51 | nM | 8.6 | Binding affinity to rat adenosine A1 receptor | 20188574 |
| Adenosine receptor A3 | Ki | = | 200.0 | nM | 6.7 | Binding affinity to human adenosine A3 receptor | 20188574 |
| Adenosine receptor A2a | Ki | = | 398.0 | nM | 6.4 | Binding affinity to human adenosine A2A receptor | 20188574 |
| Adenosine receptor A2a | Ki | = | 501.0 | nM | 6.3 | Binding affinity to rat adenosine A2A receptor | 20188574 |
| Adenosine receptor A2b | Ki | = | 3981.0 | nM | 5.4 | Binding affinity to human adenosine A2B receptor | 20188574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A2a | 2 |
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A1 | 2 |
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A3 | 1 |
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A2b | 1 |
| 26550826 | 10.1038/nature15699 | Ovarian cancer G-protein coupled receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine