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Compound Detail

CHEMBL5174872

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O=C(CN1C(=O)c2ccc(F)cc2S1(=O)=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174872
Phase Preclinical
Structure Type MOL
InChI Key XBTYOCFWRCWBBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
1.61
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11FN2O4S
MW 334.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.09

Literature References

PubMed DOI Target Context # Activities
34998903 10.1016/j.bmcl.2022.128526 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine