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Compound Detail

CHEMBL1790304

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CC[C@H](C)[C@H](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 CHEMBL1790304
Phase Preclinical
Structure Type BOTH
InChI Key UHSBDWIIEICNLO-SWEGMTMGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

587.7
MW (Da)
-0.87
ALogP
8
HBA
7
HBD
211.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H41N5O9S
MW 587.70
Aromatic Rings 0
Heavy Atoms 40

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