Compound Detail
CHEMBL4173768
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Basic Information
| ChEMBL ID | CHEMBL4173768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACZKLNIJFOPLKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
0.65
ALogP
8
HBA
2
HBD
125.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | EC50 | 7.33 | 7.33 | 46.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | EC50 | = | 46.77 | nM | 7.33 | Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as ch... | 28528302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28528302 | 10.1016/j.ejmech.2017.05.035 | Adenosine receptor A2b | 4 |
Data from ChEMBL 36 via Core Engine