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Compound Detail

CHEMBL3347584

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C=C(C)C[C@H]1[C@H]2c3c(Br)cccc3[C@H](CC2(C)C)N1S(=O)(=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3347584
Phase Preclinical
Structure Type MOL
InChI Key GZMCRXQGKJRDGQ-ONTIZHBOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)
6.18
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25BrFNO2S
MW 478.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
24466406 10.1039/c3md00061c Cytochrome b-245 heavy chain 2
24466406 10.1039/c3md00061c Xanthine dehydrogenase/oxidase 1
24466406 10.1039/c3md00061c NADPH oxidase 5 1
24466406 10.1039/c3md00061c NADPH oxidase 4 1
24466406 10.1039/c3md00061c NADPH oxidase 1 1

Data from ChEMBL 36 via Core Engine