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Compound Detail

CHEMBL4165109

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CC(C)(CO)Cn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165109
Phase Preclinical
Structure Type MOL
InChI Key GKLSWCVTHGCHNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.9
MW (Da)
2.90
ALogP
8
HBA
1
HBD
102.9
PSA (Ų)
0.49
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 C20H22ClN5O3S
MW 447.95
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.45

Activity Summary

EC50 1 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
 EC50 5.97 5.97 1070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fusion glycoprotein F0 EC50 = 1070.0 nM 5.97 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