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Compound Detail

CHEMBL3597125

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CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)c(F)c3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597125
Phase Preclinical
Structure Type MOL
InChI Key WRXORCJNJMWMII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

574.6
MW (Da)
5.85
ALogP
9
HBA
1
HBD
105.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27FN2O7S2
MW 574.65
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
25937236 10.1016/j.bmc.2015.04.055 NON-PROTEIN TARGET 2
25937236 10.1016/j.bmc.2015.04.055 SK-OV-3 1
25937236 10.1016/j.bmc.2015.04.055 HepG2 1
25937236 10.1016/j.bmc.2015.04.055 HCT-116 1

Data from ChEMBL 36 via Core Engine