Compound Detail
CHEMBL4871496
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Basic Information
| ChEMBL ID | CHEMBL4871496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFMBSVSRGIESSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.7
MW (Da)
5.47
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6040.0 | nM | 5.22 | Inhibition of NS-1in Zika virus | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine