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Compound Detail

CHEMBL4169900

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NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169900
Phase Preclinical
Structure Type MOL
InChI Key GHNLARIVONCWBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.83
ALogP
4
HBA
1
HBD
75.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN3O2S
MW 395.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
29028528 10.1016/j.ejmech.2017.09.060 Yellow fever virus 2
29028528 10.1016/j.ejmech.2017.09.060 Unchecked 2
29028528 10.1016/j.ejmech.2017.09.060 BHK-21 1
29028528 10.1016/j.ejmech.2017.09.060 Bovine viral diarrhea virus 1 1
29028528 10.1016/j.ejmech.2017.09.060 MT4 1
29028528 10.1016/j.ejmech.2017.09.060 Human immunodeficiency virus 1 1
29028528 10.1016/j.ejmech.2017.09.060 Mammalian orthoreovirus 1 1
29028528 10.1016/j.ejmech.2017.09.060 Vero 76 1
29028528 10.1016/j.ejmech.2017.09.060 Enterovirus C 1
29028528 10.1016/j.ejmech.2017.09.060 Vaccinia virus 1
29028528 10.1016/j.ejmech.2017.09.060 Human alphaherpesvirus 1 1
29028528 10.1016/j.ejmech.2017.09.060 Vesicular stomatitis Indiana virus 1
29028528 10.1016/j.ejmech.2017.09.060 Human orthopneumovirus 1

Data from ChEMBL 36 via Core Engine