Compound Detail
CHEMBL558111
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Basic Information
| ChEMBL ID | CHEMBL558111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWFQYITVIASELA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.3
MW (Da)
4.75
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human papillomavirus type 16 CHEMBL613205 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human papillomavirus type 16 | IC50 | = | 17.0 | nM | 7.77 | Antiviral activity against Human papillomavirus 16 infected in human W12-20850 c... | 19556128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19556128 | 10.1016/j.bmcl.2009.06.001 | Human papillomavirus type 16 | 1 |
| 19556128 | 10.1016/j.bmcl.2009.06.001 | HFF | 1 |
Data from ChEMBL 36 via Core Engine