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Compound Detail

CHEMBL377075

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O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377075
Phase Preclinical
Structure Type MOL
InChI Key OUGVNXFNEABXRQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
3.26
ALogP
6
HBA
2
HBD
100.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15N3O4S
MW 417.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.82

Activity Summary

EC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 EC50 6.11 6.11 774.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase EC50 = 774.0 nM 6.11 Inhibition of HCV RNA replication in Huh7 cells 16451063

Literature References

PubMed DOI Target Context # Activities
16451063 10.1021/jm050855s RNA-directed RNA polymerase 3

Data from ChEMBL 36 via Core Engine