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Compound Detail

CHEMBL420317

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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CS)C(=O)NCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420317
Phase Preclinical
Structure Type MOL
InChI Key RYWGWEAUNAFAEJ-GSDHBNRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

570.8
MW (Da)
3.24
ALogP
6
HBA
5
HBD
125.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N4O5S
MW 570.76
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
12540231 10.1021/jm025594q Hepatitis C virus serine protease, NS3/NS4A 1

Data from ChEMBL 36 via Core Engine