Compound Detail
CHEMBL3970659
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CC1=C(C(=O)OCc2ccccc2)C(c2ccc(-c3ccccc3C)cc2)NC(=O)N1Cc1ccc(-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL3970659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVUAIRBAGKSKOJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
6.13
ALogP
6
HBA
2
HBD
113.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BK polyomavirus CHEMBL4888480 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BK polyomavirus | EC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against BK polyomavirus Gardner infected in human HFF cells a... | 27624078 |
| NON-PROTEIN TARGET | EC50 | = | 4200.0 | nM | 5.38 | Antiviral activity against JC polyomavirus MAD-4 infected in grivet COS7 cells a... | 27624078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27624078 | 10.1016/j.bmcl.2016.08.080 | NON-PROTEIN TARGET | 5 |
| 27624078 | 10.1016/j.bmcl.2016.08.080 | Unchecked | 2 |
| 27624078 | 10.1016/j.bmcl.2016.08.080 | BK polyomavirus | 1 |
| 27624078 | 10.1016/j.bmcl.2016.08.080 | Large T antigen | 1 |
Data from ChEMBL 36 via Core Engine