Compound Detail
CHEMBL604844
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Basic Information
| ChEMBL ID | CHEMBL604844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFMJXEMKAVCGPF-XJSXVSLSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
-1.58
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | EC50 | 6.44 | 6.44 | 363.1 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | EC50 | 4.1 | 4.1 | 79432.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | EC50 | = | 363.08 | nM | 6.44 | Coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guine... | 2016707 |
| Adenosine receptor A1 | EC50 | = | 79432.82 | nM | 4.1 | Prolongation of the stimulus-QRS interval by 50% of the maximum response at the ... | 2016707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016707 | 10.1021/jm00108a014 | Adenosine receptor A1 | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine A2 receptor | 1 |
| 2016707 | 10.1021/jm00108a014 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine