Compound Detail
CHEMBL4059720
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Basic Information
| ChEMBL ID | CHEMBL4059720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLTOKSANARUDNJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
1.73
ALogP
7
HBA
3
HBD
135.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) CHEMBL612412 | Kd | 4.09 | 4.09 | 81500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) | Kd | = | 81500.0 | nM | 4.09 | Binding affinity to HCV 5'-Alexa488-labeled IRES domain 3 loop RNA at 5 degC aft... | 28274634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28274634 | 10.1016/j.bmcl.2017.02.061 | Internal ribosome entry site (IRES) | 6 |
Data from ChEMBL 36 via Core Engine