Compound Detail
CHEMBL2367848
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@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2367848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWWUDNFHBYGDPE-ROHNOIKCSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
3.96
ALogP
5
HBA
4
HBD
125.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 6.79 | 6.79 | 161.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 162.18 | nM | 6.79 | Inhibition of human immunodeficiency virus type 1 (HIV-1) protease enzyme. | 11087569 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 161.06 | nM | 6.79 | Inhibitory activity against HIV-1 protease. | 10956210 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 162.18 | nM | 6.79 | Inhibitory activity against HIV-1 protease. | 9526559 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 161.0 | nM | 6.79 | In vitro inhibition of HIV-1 protease | 7830273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087569 | 10.1021/jm9905357 | Human immunodeficiency virus type 1 protease | 1 |
| 10956210 | 10.1021/jm990609e | Human immunodeficiency virus type 1 protease | 1 |
| 9526559 | 10.1021/jm970535b | Human immunodeficiency virus type 1 protease | 1 |
| 7830273 | 10.1021/jm00002a012 | Human immunodeficiency virus type 1 protease | 1 |
Data from ChEMBL 36 via Core Engine