Compound Detail
CHEMBL6028363
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COCCOCCOCCOCCOCCOCCOCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL6028363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABCWSIGLFMCQCE-YRYHPRDQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
886.1
MW (Da)
2.50
ALogP
16
HBA
3
HBD
214.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
33
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HIV-1 protease CHEMBL4296312 | IC50 | 9.45 | 9.45 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HIV-1 protease | IC50 | = | 0.358 | nM | 9.45 | Enzyme Inhibition of Purified HIV-1 Protease: Protease inhibitors (PI) are used ... | - |
Data from ChEMBL 36 via Core Engine