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Compound Detail

CHEMBL175171

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N#CCCCOc1ccccc1C(=O)CC(=O)C(=O)O

Basic Information

ChEMBL ID CHEMBL175171
Phase Preclinical
Structure Type MOL
InChI Key OZSGEZVVXJEIDT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.60
ALogP
5
HBA
1
HBD
104.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO5
MW 275.26
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.42

Activity Summary

IC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis C virus
CHEMBL379
IC50 6.46 6.46 350.0 1
RNA-directed RNA polymerase
CHEMBL4296320
IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14695815 10.1021/jm0342109 RNA-directed RNA polymerase 1
19112024 10.1016/j.bmc.2008.11.075 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine