Compound Detail
CHEMBL277985
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(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL277985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOPJEVCXMWTXGE-WIHCDAFUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
643.8
MW (Da)
3.98
ALogP
6
HBA
4
HBD
141.7
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| MT2 CHEMBL614184 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease | IC50 | = | 0.3 | nM | 9.52 | Concentration required for in vitro inhibitory activity against HIV-1 protease | - |
| CCRF-CEM | IC50 | = | 11.0 | nM | 7.96 | Concentration required for in vitro antiviral activity against HIV-1 virus infec... | - |
| MT2 | IC50 | = | 31.0 | nM | 7.51 | Concentration required for in vitro antiviral activity against HIV-1 virus infec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80368-1 | Human immunodeficiency virus type 1 protease | 1 |
| - | 10.1016/S0960-894X(01)80368-1 | CCRF-CEM | 1 |
| - | 10.1016/S0960-894X(01)80368-1 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine