Compound Detail
CHEMBL448322
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Basic Information
| ChEMBL ID | CHEMBL448322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDKITSULXSMJOW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
5.04
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 6.05 | 5.8 | 900.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.415 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against IRES-luciferase tagged Yellow fever virus in BHK15 ce... | 18610998 |
| Yellow fever virus | EC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against Yellow fever virus 17D expressing IRES-luciferase gen... | 21355607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18610998 | 10.1021/jm800412d | Yellow fever virus | 2 |
| 18610998 | 10.1021/jm800412d | ADMET | 2 |
| 21355607 | 10.1021/jm1013538 | Yellow fever virus | 2 |
| 21355607 | 10.1021/jm1013538 | ADMET | 2 |
| 18610998 | 10.1021/jm800412d | dengue virus type 2 | 1 |
| 21355607 | 10.1021/jm1013538 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine