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Compound Detail

CHEMBL4449695

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O=C(O)Cc1cccc(OC(=O)Cc2cccc(OS(=O)(=O)c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449695
Phase Preclinical
Structure Type MOL
InChI Key ZYFNRSZBDQGRBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

673.6
MW (Da)
5.80
ALogP
9
HBA
3
HBD
191.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H22F3N3O10S
MW 673.58
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -1.27

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