Compound Detail
CHEMBL2092982
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](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2092982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJBUCZFZQXPYFC-KMMGOQOWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
4.51
ALogP
5
HBA
4
HBD
107.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 6.64 | 6.615 | 229.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 229.0 | nM | 6.64 | Inhibition of HIV protease | 2002466 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 259.0 | nM | 6.59 | Inhibition of HIV protease | 2002466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2002466 | 10.1021/jm00107a051 | Human immunodeficiency virus type 1 protease | 2 |
Data from ChEMBL 36 via Core Engine