Compound Detail
CHEMBL1797833
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Basic Information
| ChEMBL ID | CHEMBL1797833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGTCMQWFALJKJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
4.25
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against luciferase reporting full length Yellow fever virus i... | 21612931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21612931 | 10.1016/j.bmc.2011.04.041 | Yellow fever virus | 2 |
| 21612931 | 10.1016/j.bmc.2011.04.041 | ADMET | 2 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| - | 10.6019/CHEMBL4513161 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513161 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513161 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513161 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513161 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513161 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513161 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513161 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine