Compound Detail
CHEMBL3793680
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Basic Information
| ChEMBL ID | CHEMBL3793680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADLWXIAXNUKYIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
5.21
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhinovirus B CHEMBL612466 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhinovirus B | EC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against Human Rhinovirus B serotype 14 infected in HeLa Rh ce... | 27049678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27049678 | 10.1016/j.ejmech.2016.03.049 | Rhinovirus B | 1 |
| 27049678 | 10.1016/j.ejmech.2016.03.049 | ADMET | 1 |
| 27049678 | 10.1016/j.ejmech.2016.03.049 | Unchecked | 1 |
| 27049678 | 10.1016/j.ejmech.2016.03.049 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine