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Compound Detail

CHEMBL5563341

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OCC[n+]1cc2cc3c(cc2c2cc(F)ccc21)OCO3.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563341
Phase Preclinical
Structure Type MOL
InChI Key LEGDERBTEGZXES-UHFFFAOYSA-M
Parent Compound CHEMBL6069442
Active Moiety CHEMBL6069442
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.14
ALogP
3
HBA
1
HBD
42.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13BrFNO3
MW 366.19
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
38958057 10.1021/acs.jmedchem.4c00513 Protein phosphatase 1A 1

Data from ChEMBL 36 via Core Engine