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Compound Detail

CHEMBL3942723

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O=C1NC(=O)/C(=C/c2c(F)cccc2Br)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3942723
Phase Preclinical
Structure Type MOL
InChI Key LOIYEKNAUCKFHI-YWEYNIOJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.1
MW (Da)
2.91
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5BrFNO2S
MW 302.12
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27517809 10.1016/j.ejmech.2016.07.060 Pteridine reductase 1 3

Data from ChEMBL 36 via Core Engine