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Compound Detail

CHEMBL5604955

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O=C(O)c1cc(Cl)c(F)cc1NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5604955
Phase Preclinical
Structure Type MOL
InChI Key MRUFTMJDEQYAJA-UHFFFAOYSA-N
2
Targets
11
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.3
MW (Da)
5.42
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12Cl2FNO5S
MW 456.28
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.49

Activity Summary

IC50 11 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Genome polyprotein
CHEMBL5980
 IC50 5.28 5.046 5273.0 10
Nonstructural protein 3
CHEMBL4523954
 IC50 4.98 4.98 10407.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Genome polyprotein IC50 = 5273.0 nM 5.28 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 5735.0 nM 5.24 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 7824.0 nM 5.11 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 8351.0 nM 5.08 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 8364.0 nM 5.08 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 9100.0 nM 5.04 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 10210.0 nM 4.99 Functional biochemical assay to identify treatments for viral infectious disease... -
Nonstructural protein 3 IC50 = 10407.0 nM 4.98 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 11153.0 nM 4.95 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 12282.0 nM 4.91 Functional biochemical assay to identify treatments for viral infectious disease... -
Genome polyprotein IC50 = 16519.0 nM 4.78 Functional biochemical assay to identify treatments for viral infectious disease... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5604063 Genome polyprotein 10
- 10.6019/CHEMBL5604062 Nonstructural protein 3 1

Data from ChEMBL 36 via Core Engine