Compound Detail
CHEMBL4556792
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
COCCOc1c(N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c(=O)c1=O
Basic Information
| ChEMBL ID | CHEMBL4556792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXWOHDLHXHHGLH-BJKOFHAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
560.7
MW (Da)
2.05
ALogP
9
HBA
2
HBD
131.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protease CHEMBL2366517 | Ki | 5.71 | 5.71 | 1957.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protease | Ki | = | 1957.0 | nM | 5.71 | Inhibition of HIV1 protease using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 substrate by co... | 31416666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31416666 | 10.1016/j.bmcl.2019.08.006 | Human immunodeficiency virus 1 | 1 |
| 31416666 | 10.1016/j.bmcl.2019.08.006 | Protease | 1 |
Data from ChEMBL 36 via Core Engine