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Compound Detail

CHEMBL2369570

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CC[C@@H](C)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2369570
Phase Preclinical
Structure Type BOTH
InChI Key JXDNUMOTWHZSCB-WMVBVFFESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

702.8
MW (Da)
-1.91
ALogP
10
HBA
9
HBD
277.7
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H46N6O12S
MW 702.78
Aromatic Rings 0
Heavy Atoms 48
NP-Likeness 0.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9873421 10.1016/s0960-894x(98)00299-6 NS3 1

Data from ChEMBL 36 via Core Engine