Compound Detail
CHEMBL1591211
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 | CHEMBL1591211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWYIUSCDJDRVOY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
4.34
ALogP
4
HBA
1
HBD
75.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yellow fever virus CHEMBL613731 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yellow fever virus | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against Yellow fever virus 17D vaccine (Stamaril Pasteur J07B... | 29028528 |
| Human immunodeficiency virus 1 | EC50 | = | 10000.0 | nM | 5.0 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 29028528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Unchecked | 3 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Yellow fever virus | 2 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | BHK-21 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | dengue virus type 2 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | West Nile virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Bovine viral diarrhea virus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | MT4 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human immunodeficiency virus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Mammalian orthoreovirus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vero 76 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Enterovirus C | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vaccinia virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human alphaherpesvirus 1 | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Vesicular stomatitis Indiana virus | 1 |
| 29028528 | 10.1016/j.ejmech.2017.09.060 | Human orthopneumovirus | 1 |
Data from ChEMBL 36 via Core Engine