Compound Detail
CHEMBL5890847
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COCCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5890847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEQZXIVKRNCNNV-KPRGPYIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
905.1
MW (Da)
3.44
ALogP
12
HBA
5
HBD
198.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HIV-1 protease CHEMBL4296312 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HIV-1 protease | IC50 | = | 0.05 | nM | 10.3 | Enzyme Inhibition of Purified HIV-1 Protease: Protease inhibitors (PI) are used ... | - |
Data from ChEMBL 36 via Core Engine