Compound Detail
CHEMBL5200629
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CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)CNCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5200629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJVLAVKCODHMBG-CBPXPLCBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
2.93
ALogP
4
HBA
3
HBD
64.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.1 | 5.475 | 790.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 790.0 | nM | 6.1 | Inhibition of glycoprotein in luciferase expressing pseudotyped Ebola virus infe... | 35872393 |
| Unchecked | IC50 | = | 14090.0 | nM | 4.85 | Inhibition of glycoprotein in luciferase expressing pseudotyped VSV infected in ... | 35872393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35872393 | 10.1016/j.ejmech.2022.114608 | Unchecked | 4 |
| 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