Compound Detail
CHEMBL4563718
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Basic Information
| ChEMBL ID | CHEMBL4563718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCTFDGZIOQDFCD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.1
MW (Da)
3.35
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.09 | 5.4133 | 810.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 810.0 | nM | 6.09 | Antiviral activity against Zika virus infected in SNB-19 cells assessed as reduc... | 33689873 |
| Unchecked | IC50 | = | 5460.0 | nM | 5.26 | Inhibition of envelope protein in Zika virus | 33689873 |
| Unchecked | IC50 | = | 12860.0 | nM | 4.89 | Inhibition of NS-1in Zika virus | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 3 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | SNB-19 | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine