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Compound Detail

CHEMBL3808435

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NS(=O)(=O)c1ccc(-c2nc3cc4cccnc4c(Cl)c3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3808435
Phase Preclinical
Structure Type MOL
InChI Key WWVPRLPBTQNIHU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
3.08
ALogP
4
HBA
2
HBD
101.7
PSA (Ų)
0.57
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 C16H11ClN4O2S
MW 358.81
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.40

Activity Summary

EC50 2 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 4.75 4.75 18000.0 1
Poliovirus 1
CHEMBL613556
 EC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 18000.0 nM 4.75 Antiviral activity against Respiratory syncytial virus A2 infected in Vero 76 ce... 27161176
Poliovirus 1 EC50 = 21000.0 nM 4.68 Antiviral activity against Human poliovirus 1 strain Sabin infected in Vero 76 c... 27161176

Literature References

PubMed DOI Target Context # Activities
27161176 10.1016/j.ejmech.2016.03.080 ADMET 3
27161176 10.1016/j.ejmech.2016.03.080 NON-PROTEIN TARGET 2
27161176 10.1016/j.ejmech.2016.03.080 Yellow fever virus 1
27161176 10.1016/j.ejmech.2016.03.080 Coxsackievirus B2 1
27161176 10.1016/j.ejmech.2016.03.080 Poliovirus 1 1
27161176 10.1016/j.ejmech.2016.03.080 Respiratory syncytial virus 1
27161176 10.1016/j.ejmech.2016.03.080 Vesicular stomatitis virus 1
27161176 10.1016/j.ejmech.2016.03.080 Vaccinia virus 1

Data from ChEMBL 36 via Core Engine