Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3597144

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOc1ccc(-c2nc(NS(=O)(=O)c3ccccc3C(F)(F)F)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597144
Phase Preclinical
Structure Type MOL
InChI Key DGROSUFVHLNRFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

594.6
MW (Da)
6.72
ALogP
8
HBA
1
HBD
96.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25F3N2O6S2
MW 594.63
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.31

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