Compound Detail
CHEMBL72695
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CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL72695 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NELACTXYCHECFZ-DZQZDKHXSA-N |
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
698.8
MW (Da)
-1.04
ALogP
9
HBA
8
HBD
277.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239657 | 10.1021/jm049864b | NS3 | 1 |
| 9873610 | 10.1016/s0960-894x(98)00480-6 | Hepatitis C virus serine protease, NS3/NS4A | 1 |
| 11055335 | 10.1016/s0960-894x(00)00465-0 | NS3 | 1 |
| 14695826 | 10.1021/jm0303002 | Unchecked | 1 |
| 27501244 | 10.1021/acs.jmedchem.6b00915 | Hepatitis C virus serine protease, NS3/NS4A | 1 |
Data from ChEMBL 36 via Core Engine