Compound Detail
CHEMBL4522746
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Nc1cc(C(F)(F)F)ccc1NC(=O)Nc1cccc(S(=O)(=O)NCc2cccc(C(=O)O)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4522746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCWPGFLGUILDSA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
4.11
ALogP
5
HBA
5
HBD
150.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL4523307 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 95000.0 | nM | 4.02 | Inhibition of ZIKV 2'-O-MTase assessed as reduction in [3H]AdoMet transfer on to... | 30368131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30368131 | 10.1016/j.ejmech.2018.09.056 | Nonstructural protein 5 | 1 |
| 30368131 | 10.1016/j.ejmech.2018.09.056 | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine