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Compound Detail

CHEMBL4517741

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O=c1c(O)c(-c2csc3ccccc23)oc2cc(F)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4517741
Phase Preclinical
Structure Type MOL
InChI Key RGSVCANMSAJMJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
4.52
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9FO3S
MW 312.32
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
31542713 10.1016/j.ejmech.2019.111676 786-0 1
31542713 10.1016/j.ejmech.2019.111676 A549 1
31542713 10.1016/j.ejmech.2019.111676 Voltage-gated inwardly rectifying potassium channel KCNH2 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 1A2 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2C9 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2C19 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2D6 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 3A4 1
31542713 10.1016/j.ejmech.2019.111676 THP-1 1
31542713 10.1016/j.ejmech.2019.111676 Leishmania infantum 1

Data from ChEMBL 36 via Core Engine