Compound Detail
CHEMBL184517
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Basic Information
| ChEMBL ID | CHEMBL184517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVHXEVOLFSFPCB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
2.28
ALogP
4
HBA
3
HBD
82.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 6.05 | 6.05 | 900.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 900.0 | nM | 6.05 | Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expre... | 20405927 |
| Hepatitis C virus | IC50 | = | 25000.0 | nM | 4.6 | In vitro inhibitory concentration against hepatitis C virus internal ribosome en... | 15380215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380215 | 10.1016/j.bmcl.2004.07.066 | Hepatitis C virus | 2 |
| 20405927 | 10.1021/jm100240h | Adenosine receptor A2a | 1 |
| 20405927 | 10.1021/jm100240h | Adenosine receptor A1 | 1 |
| 20405927 | 10.1021/jm100240h | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine