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Compound Detail

CHEMBL138925

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COc1ccc(-c2csc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138925
Phase Preclinical
Structure Type MOL
InChI Key JXDFEKJZOYYWEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.4
MW (Da)
6.51
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15F6N3O3S
MW 491.41
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
14643347 10.1016/j.bmcl.2003.09.013 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine