Compound Detail
CHEMBL306389
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Basic Information
| ChEMBL ID | CHEMBL306389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFDTXFVAJKRUSP-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
1.23
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Ki 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.21 | 6.21 | 620.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 620.0 | nM | 6.21 | Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]... | 2795597 |
| Adenosine A2 receptor | Ki | = | 2400.0 | nM | 5.62 | Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]... | 2795597 |
| Phosphodiesterase 1 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of Calmodulin Sensitive Phosphodiesterase 1 from pig coronary artery | 2423691 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of Phosphodiesterase 2 from pig coronary artery | 2423691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2795597 | 10.1021/jm00130a004 | Adenosine receptor A1 | 1 |
| 2795597 | 10.1021/jm00130a004 | Adenosine A2 receptor | 1 |
| 2795597 | 10.1021/jm00130a004 | Adenosine receptors; A1 & A2 | 1 |
| 2423691 | 10.1021/jm00156a013 | Phosphodiesterase 1 | 1 |
| 2423691 | 10.1021/jm00156a013 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine