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Compound Detail

CHEMBL4160323

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CS(=O)(=O)CCn1c(Cn2c(S(C)(=O)=O)cc3ccccc32)nc2ccccc21

Basic Information

ChEMBL ID CHEMBL4160323
Phase Preclinical
Structure Type MOL
InChI Key ARDFHDHPKFVQST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
2.49
ALogP
7
HBA
0
HBD
91.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O4S2
MW 431.54
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.36

Activity Summary

EC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fusion glycoprotein F0 EC50 = 100000.0 nM 4.0 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