Compound Detail
CHEMBL388688
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CC(=O)c1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)OC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL388688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEJOBLYVGLPABL-ZYXDSXQBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
677.8
MW (Da)
5.12
ALogP
7
HBA
3
HBD
134.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protease CHEMBL2366517 | Ki | 7.4 | 7.4 | 39.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protease | Ki | = | 39.87 | nM | 7.4 | Inhibition of Wild type HIV1 Protease by FRET based assay | 17696512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17696512 | 10.1021/jm070284z | Protease | 1 |
Data from ChEMBL 36 via Core Engine