Compound Detail
CHEMBL5759228
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COCCOCCOCCOC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5759228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFTWWIHRIFNBPT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
837.0
MW (Da)
4.26
ALogP
12
HBA
5
HBD
198.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HIV-1 protease CHEMBL4296312 | IC50 | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HIV-1 protease | IC50 | = | 0.366 | nM | 9.44 | Enzyme Inhibition of Purified HIV-1 Protease: Protease inhibitors (PI) are used ... | - |
Data from ChEMBL 36 via Core Engine