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Compound Detail

CHEMBL501127

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O=C(O)c1ccc2nc(-c3ccc(F)cc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501127
Phase Preclinical
Structure Type MOL
InChI Key RXYVGBHKOJJGJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
3.80
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8FNO2S
MW 273.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.97

Literature References

PubMed DOI Target Context # Activities
19216563 10.1021/jm8013376 Amyloid-beta precursor protein 1
19216563 10.1021/jm8013376 No relevant target 1

Data from ChEMBL 36 via Core Engine