Compound Detail
CHEMBL142485
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Basic Information
| ChEMBL ID | CHEMBL142485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCAQGQIHBFVVIX-LYXAAFRTSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
1.74
ALogP
5
HBA
8
HBD
189.7
PSA (Ų)
0.20
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.89
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Yellow fever virus CHEMBL613731 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 13000.0 | nM | 4.89 | Antiviral activity against IRES-luciferase tagged Yellow fever virus in BHK15 ce... | 18610998 |
| Yellow fever virus | IC50 | = | 13000.0 | nM | 4.89 | Antiviral activity against YFV harboring firefly luciferase gene at IRES site in... | 34020338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 513070 | 10.1021/jm00196a016 | Unchecked | 3 |
| 18610998 | 10.1021/jm800412d | ADMET | 2 |
| 513070 | 10.1021/jm00196a016 | L1210 | 2 |
| 6708048 | 10.1021/jm00370a007 | Nucleic Acid | 1 |
| 18610998 | 10.1021/jm800412d | Yellow fever virus | 1 |
| 34020338 | 10.1016/j.ejmech.2021.113527 | Yellow fever virus | 1 |
Data from ChEMBL 36 via Core Engine