Compound Detail
CHEMBL4163380
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Basic Information
| ChEMBL ID | CHEMBL4163380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHXPARNUWACDCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.2
MW (Da)
2.36
ALogP
6
HBA
2
HBD
85.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | EC50 | 7.46 | 7.46 | 34.7 | 1 |
| Adenosine receptor CHEMBL2111329 | EC50 | 5.06 | 5.06 | 8709.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | EC50 | = | 34.67 | nM | 7.46 | Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as ch... | 28528302 |
| Adenosine receptor | EC50 | = | 8709.64 | nM | 5.06 | Antagonist activity at Adenosine receptor in human RBC assessed as change in ery... | 28528302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28528302 | 10.1016/j.ejmech.2017.05.035 | Adenosine receptor A2b | 4 |
| 28528302 | 10.1016/j.ejmech.2017.05.035 | Adenosine receptor | 1 |
Data from ChEMBL 36 via Core Engine