Compound Detail
CHEMBL1399083
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1399083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFFXRIUELQDINN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
2.57
ALogP
7
HBA
0
HBD
84.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Venezuelan equine encephalitis virus CHEMBL613726 | EC50 | 6.52 | 6.28 | 300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Venezuelan equine encephalitis virus | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Venezuelan equine encephalitis virus V3526 infected i... | 25244572 |
| Venezuelan equine encephalitis virus | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against Venezuelan equine encephalitis virus TrD infected in ... | 25244572 |
| Venezuelan equine encephalitis virus | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against Venezuelan equine encephalitis virus TC83 infected in... | 25244572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25244572 | 10.1021/jm501203v | Venezuelan equine encephalitis virus | 10 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 25244572 | 10.1021/jm501203v | ADMET | 1 |
| 25244572 | 10.1021/jm501203v | Unchecked | 1 |
| 25244572 | 10.1021/jm501203v | No relevant target | 1 |
| - | 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