Compound Detail
CHEMBL333799
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Basic Information
| ChEMBL ID | CHEMBL333799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGJOYDSLQDTUGS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
353.3
MW (Da)
1.24
ALogP
8
HBA
1
HBD
124.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.33 | 8.33 | 4.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 4.7 | nM | 8.33 | Binding affinity against human adenosine A3 receptor expressed in CHO cells by [... | 15214785 |
| Adenosine receptor A3 | Ki | = | 4.7 | nM | 8.33 | Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed ... | 19301821 |
| Adenosine receptor A3 | Ki | = | 4.7 | nM | 8.33 | Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor exp... | 22468757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214785 | 10.1021/jm031136l | Adenosine receptor A1 | 2 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A3 | 2 |
| 22468757 | 10.1021/jm300087j | Unchecked | 2 |
| 15214785 | 10.1021/jm031136l | Adenosine receptor A2a | 1 |
| 15214785 | 10.1021/jm031136l | Adenosine receptor A3 | 1 |
| 15993066 | 10.1016/j.bmcl.2005.05.051 | Adenosine receptor A3 | 1 |
| 19301821 | 10.1021/jm8014876 | Adenosine receptor A3 | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A1 | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptors; A1 & A3 | 1 |
Data from ChEMBL 36 via Core Engine