Compound Detail
CHEMBL192920
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Basic Information
| ChEMBL ID | CHEMBL192920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYFHANBXZABRCS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
464.0
MW (Da)
6.53
ALogP
3
HBA
0
HBD
45.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Enterovirus CHEMBL613749 | IC50 | 7.39 | 7.12 | 41.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against Human enterovirus 71 strain 4643 using plaque reduct... | 16054357 |
| Enterovirus | IC50 | = | 41.0 | nM | 7.39 | In vitro inhibitory concentration against human enterovirus EV71-4643 strain | 15887961 |
| Enterovirus | IC50 | = | 140.0 | nM | 6.85 | In vitro inhibitory concentration against human enterovirus EV71-2231 strain | 15887961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887961 | 10.1021/jm050033v | Enterovirus | 2 |
| 15887961 | 10.1021/jm050033v | ADMET | 1 |
| 16054357 | 10.1016/j.bmcl.2005.06.069 | Enterovirus A71 | 1 |
| 16054357 | 10.1016/j.bmcl.2005.06.069 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine