Compound Detail
CHEMBL2348117
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Basic Information
| ChEMBL ID | CHEMBL2348117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALSFHFRMXBCGJT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.7
MW (Da)
3.21
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.23 | 5.02 | 5850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5850.0 | nM | 5.23 | Inhibition of envelope protein in Zika virus | 33689873 |
| Unchecked | IC50 | = | 15590.0 | nM | 4.81 | 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 |
| 23453073 | 10.1016/j.bmcl.2013.01.101 | Molecular identity unknown | 1 |
| 23453073 | 10.1016/j.bmcl.2013.01.101 | Frizzled-1 | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine