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Compound Detail

CHEMBL185589

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O=C(NS(=O)(=O)C(F)(F)F)c1nc(-c2cccs2)nc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185589
Phase Preclinical
Structure Type MOL
InChI Key LCJZWPYCBLLWFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
1.20
ALogP
8
HBA
3
HBD
129.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6F3N3O5S2
MW 369.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 5.21 5.21 6200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 6200.0 nM 5.21 inhibitory concentration against RNA dependent RNA polymerase Nonstructural prot... 15380204

Literature References

PubMed DOI Target Context # Activities
15380204 10.1016/j.bmcl.2004.07.075 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine