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Compound Detail

CHEMBL4163349

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CCS(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163349
Phase Preclinical
Structure Type MOL
InChI Key OKMLKPZWOJBRQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

494.0
MW (Da)
3.92
ALogP
7
HBA
0
HBD
91.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN3O4S2
MW 494.04
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.02

Activity Summary

EC50 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
 EC50 7.27 7.27 54.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fusion glycoprotein F0 EC50 = 54.0 nM 7.27 Inhibition of Respiratory syncytial virus Long fusion glycoprotein infected in H... 28772235

Literature References

PubMed DOI Target Context # Activities
28772235 10.1016/j.ejmech.2017.07.032 Fusion glycoprotein F0 2
28772235 10.1016/j.ejmech.2017.07.032 HEp-2 1

Data from ChEMBL 36 via Core Engine