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Compound Detail

CHEMBL181491

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

Basic Information

ChEMBL ID CHEMBL181491
Phase Preclinical
Structure Type MOL
InChI Key BQPTVRMWMWSCAH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
1.01
ALogP
7
HBA
2
HBD
117.5
PSA (Ų)
0.81
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 C10H8N2O5S2
MW 300.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 4.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 4.31 4.31 49000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 49000.0 nM 4.31 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