Compound Detail
CHEMBL1766358
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Basic Information
| ChEMBL ID | CHEMBL1766358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZORWPBVRGDLJO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
4.05
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.08
Ki 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 8.08 | 8.08 | 8.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 0.776 | nM | 9.11 | Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed ... | 21401121 |
| Adenosine receptor A3 | IC50 | = | 8.25 | nM | 8.08 | Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells... | 21401121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21401121 | 10.1021/jm101328n | Adenosine receptor A3 | 2 |
| 21401121 | 10.1021/jm101328n | Adenosine receptor A1 | 1 |
| 21401121 | 10.1021/jm101328n | Adenosine receptor A2a | 1 |
| 21401121 | 10.1021/jm101328n | Adenosine receptor A2b | 1 |
| 21401121 | 10.1021/jm101328n | Adenosine receptors; A1 & A3 | 1 |
| 21401121 | 10.1021/jm101328n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine