Compound Detail
CHEMBL3971531
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Basic Information
| ChEMBL ID | CHEMBL3971531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEPMPOQJMHGPQF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.9
MW (Da)
4.03
ALogP
6
HBA
4
HBD
147.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL4523307 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Genome polyprotein CHEMBL5419 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of ZIKV 2'-O-MTase assessed as reduction in [3H]AdoMet transfer on to... | 30368131 |
| Genome polyprotein | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of WNV 2'-O-MTase assessed as reduction in [3H]AdoMet transfer on to ... | 30368131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27750202 | 10.1016/j.ejmech.2016.10.007 | Unchecked | 3 |
| 30368131 | 10.1016/j.ejmech.2018.09.056 | Genome polyprotein | 2 |
| 30368131 | 10.1016/j.ejmech.2018.09.056 | Nonstructural protein 5 | 1 |
Data from ChEMBL 36 via Core Engine