Compound Detail
CHEMBL5206680
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CCC/C(=C(\c1ccccc1)c1cccc(NC(=O)C2CCN(C)CC2)c1)c1ccc(OCCN2CCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5206680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVEGEAYOKNQOPJ-KNWKATPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.8
MW (Da)
7.20
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Antiviral activity against pseudotyped Ebola virus assessed as inhibition of vir... | 35872393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35872393 | 10.1016/j.ejmech.2022.114608 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine