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Compound Detail

CHEMBL3401893

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Nc1cc(C(F)(F)F)cc2c1SSSSS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3401893
Phase Preclinical
Structure Type MOL
InChI Key YKFGOBADMHOIFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
5.35
ALogP
6
HBA
1
HBD
26.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4F3NS5
MW 319.44
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
25819333 10.1016/j.bmc.2015.03.020 MCF7 6
25819333 10.1016/j.bmc.2015.03.020 HepG2 1
25819333 10.1016/j.bmc.2015.03.020 Tyrosyl-DNA phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine