Compound Detail
CHEMBL216588
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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](CC(F)F)C(=O)c1nccs1)C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL216588 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DVDOJLLABKVOQB-YWPUJFQYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
998.1
MW (Da)
2.92
ALogP
12
HBA
9
HBD
316.5
PSA (Ų)
0.05
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus serine protease, NS3/NS4A CHEMBL2095231 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus serine protease, NS3/NS4A | Ki | = | 1500.0 | nM | 5.82 | Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease | 11844705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844705 | 10.1016/s0960-894x(01)00842-3 | Hepatitis C virus serine protease, NS3/NS4A | 1 |
Data from ChEMBL 36 via Core Engine