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Compound Detail

CHEMBL2370491

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

Basic Information

ChEMBL ID CHEMBL2370491
Phase Preclinical
Structure Type BOTH
InChI Key HXXDMVAAKHOUCT-AVGNSLFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
0.77
ALogP
7
HBA
6
HBD
171.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H33N3O8S
MW 463.55
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 0.07

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