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Compound Detail

CHEMBL4475329

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O=C(Nc1cccc(S(=O)(=O)NCc2cccc(C(=O)O)c2)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4475329
Phase Preclinical
Structure Type MOL
InChI Key LRXFVKURDWTGJM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

538.5
MW (Da)
4.43
ALogP
6
HBA
4
HBD
167.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17F3N4O7S
MW 538.46
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -2.00

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
30368131 10.1016/j.ejmech.2018.09.056 Nonstructural protein 5 1
30368131 10.1016/j.ejmech.2018.09.056 Genome polyprotein 1

Data from ChEMBL 36 via Core Engine