Compound Detail
CHEMBL2030703
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Basic Information
| ChEMBL ID | CHEMBL2030703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPIBZONCMPLCMY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.8
MW (Da)
4.35
ALogP
5
HBA
0
HBD
52.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Ki 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.87 | 5.87 | 1357.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | IC50 | = | 2.42 | nM | 8.62 | Antagonist activity at human A2B receptor expressed in CHO cells assessed as inh... | 22257095 |
| Adenosine receptor A1 | Ki | = | 1357.0 | nM | 5.87 | Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell... | 22257095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22257095 | 10.1021/jm201177b | Adenosine receptor A2b | 3 |
| 22257095 | 10.1021/jm201177b | Adenosine receptor A3 | 1 |
| 22257095 | 10.1021/jm201177b | Adenosine receptor A2a | 1 |
| 22257095 | 10.1021/jm201177b | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine