Compound Detail
CHEMBL4862885
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O=C(NCCc1ccncc1)C1CC2(C1)CN(C(=O)c1cc3ccccc3n1Cc1ccc(Cl)cc1)C2
Basic Information
| ChEMBL ID | CHEMBL4862885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFYYDFMSHICHFA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
4.95
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Western equine encephalitis virus CHEMBL4513193 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Western equine encephalitis virus | IC50 | = | 10900.0 | nM | 4.96 | Antiviral activity against Western equine encephalitis virus infected in BSR-T7 ... | 34098081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34098081 | 10.1016/j.bmcl.2021.128171 | Unchecked | 1 |
| 34098081 | 10.1016/j.bmcl.2021.128171 | Western equine encephalitis virus | 1 |
Data from ChEMBL 36 via Core Engine