Compound Detail
CHEMBL191452
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Basic Information
| ChEMBL ID | CHEMBL191452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBSXSEXFCNECKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
4.74
ALogP
4
HBA
0
HBD
54.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus CHEMBL613749 | IC50 | 6.08 | 5.61 | 830.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus | IC50 | = | 830.0 | nM | 6.08 | In vitro inhibitory concentration against human enterovirus EV71-4643 strain | 15887961 |
| Enterovirus | IC50 | = | 7300.0 | nM | 5.14 | 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 |
Data from ChEMBL 36 via Core Engine