Compound Detail
CHEMBL427101
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Basic Information
| ChEMBL ID | CHEMBL427101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFQGUCOQJCAODM-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.57
ALogP
4
HBA
1
HBD
47.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.3
Kd 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Internal ribosome entry site (IRES) CHEMBL612412 | EC50 | 4.3 | 4.205 | 50000.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Internal ribosome entry site (IRES) CHEMBL612412 | Kd | 4.0 | 4.0 | 100000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 50000.0 | nM | 4.3 | Binding affinity to Hepatitis C virus genotype 1b IRES RNA subdomain 2a assessed... | 24138284 |
| Internal ribosome entry site (IRES) | EC50 | = | 50000.0 | nM | 4.3 | Binding affinity to HCV IRES subdomain IIa RNA by FRET assay | 38784459 |
| Internal ribosome entry site (IRES) | EC50 | = | 78000.0 | nM | 4.11 | Binding affinity to HCV IRES subdomain IIa RNA assessed as reduction in FRET sig... | 38784459 |
| Unchecked | Kd | = | 100000.0 | nM | 4.0 | Binding affinity to HCV 29-mer 2A RNA by MS based binding assay | 16279767 |
| Internal ribosome entry site (IRES) | Kd | = | 100000.0 | nM | 4.0 | Binding affinity to Hepatitis C virus IRES RNA subdomain 2a by mass spectrometry... | 24138284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279767 | 10.1021/jm050815o | Unchecked | 2 |
| 38784459 | 10.1039/d3md00696d | Internal ribosome entry site (IRES) | 2 |
| 16279767 | 10.1021/jm050815o | Hepatitis C virus | 1 |
| 16279767 | 10.1021/jm050815o | ADMET | 1 |
| 24138284 | 10.1021/jm401312n | Unchecked | 1 |
| 24138284 | 10.1021/jm401312n | Internal ribosome entry site (IRES) | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine