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Compound Detail

CHEMBL2311162

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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)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2311162
Phase Preclinical
Structure Type BOTH
InChI Key RFFLKYMPEXAZRV-DZQZDKHXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

750.8
MW (Da)
0.00
ALogP
9
HBA
7
HBD
257.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H49F3N6O11
MW 750.77
Aromatic Rings 0
Heavy Atoms 52
NP-Likeness -0.11

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9873610 10.1016/s0960-894x(98)00480-6 Hepatitis C virus serine protease, NS3/NS4A 1

Data from ChEMBL 36 via Core Engine