Compound Detail
CHEMBL372937
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Basic Information
| ChEMBL ID | CHEMBL372937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFNVTEAQNRTWRK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
4.18
ALogP
6
HBA
0
HBD
84.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
EC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enterovirus A71 CHEMBL612436 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
| Enterovirus CHEMBL613749 | IC50 | 9.05 | 8.525 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enterovirus A71 | EC50 | = | 0.9 | nM | 9.05 | Antiviral activity against Enterovirus A71 | 31226653 |
| Enterovirus | IC50 | = | 0.9 | nM | 9.05 | In vitro inhibitory concentration against human enterovirus EV71-4643 strain | 15887961 |
| Enterovirus | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory concentration against human enterovirus EV71-2231 strain | 15887961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887961 | 10.1021/jm050033v | Enterovirus | 4 |
| 15887961 | 10.1021/jm050033v | ADMET | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Enterovirus A71 | 1 |
Data from ChEMBL 36 via Core Engine