Compound Detail
CHEMBL3781833
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Basic Information
| ChEMBL ID | CHEMBL3781833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYHFOWURCINVBZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.88
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Porcine epidemic diarrhea virus CHEMBL4888462 | EC50 | 5.72 | 5.72 | 1890.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.31 | hr | Chlorocebus aethiops |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Porcine epidemic diarrhea virus | EC50 | = | 1890.0 | nM | 5.72 | Antiviral activity against PEDV 85-7 infected in Marc145 cells assessed as inhib... | 33760626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33760626 | 10.1021/acs.jnatprod.0c01252 | Porcine epidemic diarrhea virus | 11 |
| 33760626 | 10.1021/acs.jnatprod.0c01252 | Unchecked | 2 |
| 26714198 | 10.1021/acs.jnatprod.5b00825 | Molecular identity unknown | 1 |
| 33760626 | 10.1021/acs.jnatprod.0c01252 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine