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Compound Detail

CHEMBL201332

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O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201332
Phase Preclinical
Structure Type MOL
InChI Key XNYJQHGABNFQKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.4
MW (Da)
4.08
ALogP
6
HBA
2
HBD
100.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16BrN3O4S
MW 510.37
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 36.0 nM 7.44 Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay 16451063

Literature References

PubMed DOI Target Context # Activities
16451063 10.1021/jm050855s RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine