Compound Detail
CHEMBL422112
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
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](C(=O)NC1c2ccccc2C[C@@H]1O)C(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL422112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSUCHQGWSGWMEP-UWLUUTEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.7
MW (Da)
4.15
ALogP
6
HBA
4
HBD
125.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 5.37 | nM | 8.27 | Inhibition of human immunodeficiency virus type 1 (HIV-1) protease enzyme. | 11087569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087569 | 10.1021/jm9905357 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine