Compound Detail
CHEMBL5619879
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O=C(Cc1c[nH]c2ccc(O)cc12)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL5619879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWDVTOLVWGUBLC-MHZLTWQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
6.51
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Structural capsid protein CHEMBL2366504 | EC50 | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Structural capsid protein | EC50 | = | 650.0 | nM | 6.19 | 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