Compound Detail
CHEMBL4563870
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Basic Information
| ChEMBL ID | CHEMBL4563870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBJHZUMHWKVPJK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1235805 |
| Active Moiety | CHEMBL1235805 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
4.18
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus CHEMBL613749 | EC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus | EC50 | = | 10200.0 | nM | 4.99 | Antiviral activity against Rhinovirus | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Enterovirus | 1 |
Data from ChEMBL 36 via Core Engine