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Compound Detail

CHEMBL4552559

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CCOP(=O)(Nc1cc(-c2ccccc2)sc1C(=O)O)C1CCC(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4552559
Phase Preclinical
Structure Type MOL
InChI Key PERWXTGSISIBKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
6.33
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26NO4PS
MW 407.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
27520942 10.1016/j.bmcl.2016.01.042 Genome polyprotein 1
27520942 10.1016/j.bmcl.2016.01.042 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine