Compound Detail
CHEMBL15727
THIONIN ACETATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL15727 |
| Name | THIONIN ACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWXBIRAFHWASMS-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1178210 |
| Active Moiety | CHEMBL1178210 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.90
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) CHEMBL612412 | IC50 | 5.54 | 5.54 | 2860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) | IC50 | = | 2860.0 | nM | 5.54 | Inhibitory concentration against hepatitis C virus internal ribosomal entry site | 15633995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866369 | 10.1016/s0960-894x(00)00217-1 | Huh-7 | 2 |
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 2 |
| 10866369 | 10.1016/s0960-894x(00)00217-1 | NON-PROTEIN TARGET | 1 |
| 15633995 | 10.1021/jm0400101 | Internal ribosome entry site (IRES) | 1 |
Data from ChEMBL 36 via Core Engine