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Compound Detail

CHEMBL366966

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O=C(O)C(=O)CC(=O)c1cccc(NC(=O)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366966
Phase Preclinical
Structure Type MOL
InChI Key SZGGDEQGRQUBNR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.17
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NO5
MW 311.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 11000.0 nM 4.96 Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonst... 14695815

Literature References

PubMed DOI Target Context # Activities
14695815 10.1021/jm0342109 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine