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Compound Detail

CHEMBL2370188

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CCCC[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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2370188
Phase Preclinical
Structure Type BOTH
InChI Key RRPSVSBQZQWLLQ-HDNMJYFKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

712.8
MW (Da)
-0.65
ALogP
9
HBA
8
HBD
277.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H52N6O12
MW 712.80
Aromatic Rings 0
Heavy Atoms 50
NP-Likeness 0.05

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