Compound Detail
CHEMBL5618694
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Cn1nc(NS(C)(=O)=O)c2cccc(-c3cccnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)c21
Basic Information
| ChEMBL ID | CHEMBL5618694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEJZYRYUAMXYAN-ZRBLBEILSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
721.7
MW (Da)
5.81
ALogP
8
HBA
2
HBD
123.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Structural capsid protein CHEMBL2366504 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Structural capsid protein | EC50 | = | 12.0 | nM | 7.92 | Inhibition of HIV-1 NL4-3 monomeric capsid protein | 39137454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39137454 | 10.1016/j.ejmech.2024.116759 | Structural capsid protein | 1 |
Data from ChEMBL 36 via Core Engine