Compound Detail
CHEMBL2322908
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Basic Information
| ChEMBL ID | CHEMBL2322908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPPVOAWJYBDVEG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
4.67
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 24.0 | nM | 7.62 | Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO ... | 23427825 |
| Adenosine receptor A3 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human A3 adenosine receptor transfected in CHO cells assessed as i... | 23427825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23427825 | 10.1021/jm400068e | HT-29 | 6 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A3 | 3 |
| 23427825 | 10.1021/jm400068e | NON-PROTEIN TARGET | 2 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2b | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2a | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine