Compound Detail
CHEMBL606565
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CN(C(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H]1c2ccccc2C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL606565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHBRIUZJADVDHY-RWUKFNQSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.7
MW (Da)
4.85
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 6.73 | 6.73 | 186.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 186.0 | nM | 6.73 | Inhibition of HIV-1 protease | 9258349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9258349 | 10.1021/jm970195u | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine