Compound Detail
CHEMBL4168653
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4168653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDMMUAUNKJNHNN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
0.01
ALogP
7
HBA
1
HBD
85.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Adenosine receptor CHEMBL2111329 | EC50 | 5.29 | 5.29 | 5128.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | EC50 | = | 16.98 | nM | 7.77 | Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as ch... | 28528302 |
| Adenosine receptor | EC50 | = | 5128.61 | nM | 5.29 | 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 | J774 | 1 |
| 28528302 | 10.1016/j.ejmech.2017.05.035 | Adenosine receptor | 1 |
Data from ChEMBL 36 via Core Engine