Compound Detail
CHEMBL554790
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Basic Information
| ChEMBL ID | CHEMBL554790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMHQEYCSYKTSEP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL45373 |
| Active Moiety | CHEMBL45373 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
5.25
ALogP
4
HBA
0
HBD
54.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | IC50 | = | 340.0 | nM | 6.47 | Inhibition concentration against EV-71 | 11931618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931618 | 10.1021/jm010536a | Unchecked | 3 |
| 11931618 | 10.1021/jm010536a | ADMET | 2 |
| 11931618 | 10.1021/jm010536a | Enterovirus A71 | 1 |
| 11931618 | 10.1021/jm010536a | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine