Compound Detail
CHEMBL160002
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](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)CC(F)F)C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL160002 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NZPMMQUIHRLKAM-JLQWRZHPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
915.0
MW (Da)
1.78
ALogP
10
HBA
9
HBD
303.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus serine protease, NS3/NS4A CHEMBL2095231 | Ki | 9.3 | 9.3 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus serine protease, NS3/NS4A | Ki | = | 0.5 | nM | 9.3 | Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease | 11844706 |
| Hepatitis C virus serine protease, NS3/NS4A | Ki | = | 0.5 | nM | 9.3 | Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease | 11844705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844706 | 10.1016/s0960-894x(01)00843-5 | Hepatitis C virus serine protease, NS3/NS4A | 1 |
| 11844705 | 10.1016/s0960-894x(01)00842-3 | Hepatitis C virus serine protease, NS3/NS4A | 1 |
Data from ChEMBL 36 via Core Engine