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Compound Detail

CHEMBL5289295

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COc1cccc(/C=C/C(=O)c2ccc(O/N=C(\C)c3cccs3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289295
Phase Preclinical
Structure Type MOL
InChI Key FBKKJSCIHBIHQP-FPHNJLIRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
5.46
ALogP
5
HBA
0
HBD
47.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19NO3S
MW 377.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
32920430 10.1016/j.ejmech.2020.112650 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine