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Compound Detail

CHEMBL4161267

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CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC(F)(F)CO)c2cnccc12

Basic Information

ChEMBL ID CHEMBL4161267
Phase Preclinical
Structure Type MOL
InChI Key FXTQQQUWAMRVAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.9
MW (Da)
2.51
ALogP
8
HBA
1
HBD
102.9
PSA (Ų)
0.48
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 C18H16ClF2N5O3S
MW 455.87
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.59

Activity Summary

EC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 7.46 7.46 35.0 1

Activity Data Samples

Top measurements by pChEMBL value

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