Compound Detail
CHEMBL5186194
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COc1cccc(CNC[C@@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL5186194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTTLIDHSHXFEJM-GNXKAVGDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
2.94
ALogP
5
HBA
3
HBD
73.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.23 | 5.23 | 5930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5930.0 | nM | 5.23 | Inhibition of glycoprotein in luciferase expressing pseudotyped Ebola virus infe... | 35872393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35872393 | 10.1016/j.ejmech.2022.114608 | Unchecked | 2 |
| 35872393 | 10.1016/j.ejmech.2022.114608 | Huh-7 | 1 |
| 35872393 | 10.1016/j.ejmech.2022.114608 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine