Compound Detail
CHEMBL6824
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Basic Information
| ChEMBL ID | CHEMBL6824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZNYBPPIYOHJBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
5.11
ALogP
5
HBA
0
HBD
56.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A2 CHEMBL612678 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Poliovirus 2 CHEMBL613752 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A2 | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human rhinovirus A2 | 31226653 |
| Poliovirus 2 | IC50 | = | 100.0 | nM | 7.0 | Antiviral activity against Human poliovirus 2 | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2999407 | 10.1021/jm00150a025 | Mus musculus | 2 |
| 2831362 | 10.1021/jm00398a009 | Human rhinovirus sp. | 1 |
| 2999407 | 10.1021/jm00150a025 | Enterovirus | 1 |
| 1313108 | 10.1021/jm00084a005 | rhinovirus B14 | 1 |
| 1313108 | 10.1021/jm00084a005 | No relevant target | 1 |
| 1313108 | 10.1021/jm00084a005 | ADMET | 1 |
| 2158559 | 10.1021/jm00167a006 | rhinovirus B14 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | rhinovirus A2 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Poliovirus 2 | 1 |
Data from ChEMBL 36 via Core Engine