Compound Detail
CHEMBL5760404
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CC[C@@H](C1=C(O)C[C@@](CCCNC(=O)OC)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1
Basic Information
| ChEMBL ID | CHEMBL5760404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWRWOCXXTAYFHU-HVIPQOSHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
675.7
MW (Da)
6.66
ALogP
8
HBA
3
HBD
143.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HIV-1 protease CHEMBL4296312 | IC50 | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HIV-1 protease | IC50 | = | 0.292 | nM | 9.54 | Enzyme Inhibition of Purified HIV-1 Protease: Protease inhibitors (PI) are used ... | - |
Data from ChEMBL 36 via Core Engine