Compound Detail
CHEMBL122768
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC(Cc1ccccc1)c1cc(O)c(C(c2cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1
Basic Information
| ChEMBL ID | CHEMBL122768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOWUCUBSJPNTJS-BHETYADTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
560.7
MW (Da)
6.48
ALogP
6
HBA
3
HBD
117.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | Ki | = | 15.0 | nM | 7.82 | Ability to inhibit HIV protease purified and refolded from Escherichia coli incl... | 7658450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658450 | 10.1021/jm00018a023 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine