Compound Detail
CHEMBL193100
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Basic Information
| ChEMBL ID | CHEMBL193100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULFOXVWHSODZOV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.37
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.7 | 6.7 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 200.0 | nM | 6.7 | Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed i... | 16000006 |
| Adenosine receptor A3 | Ki | = | 200.0 | nM | 6.7 | Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed... | 19006671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16000006 | 10.1021/jm058008c | Adenosine receptor A1 | 1 |
| 16000006 | 10.1021/jm058008c | Adenosine receptor A2a | 1 |
| 16000006 | 10.1021/jm058008c | Adenosine receptor A3 | 1 |
| 16000006 | 10.1021/jm058008c | Adenosine receptors; A1 & A3 | 1 |
| 16000006 | 10.1021/jm058008c | Adenosine receptors; A2a & A3 | 1 |
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A1 | 1 |
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A2a | 1 |
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A2b | 1 |
| 19006671 | 10.1016/j.bmc.2008.10.049 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine