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Compound Detail

CHEMBL5555842

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COc1ccc2c(c1)c[n+](C(C)CO)c1ccc(F)cc21.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5555842
Phase Preclinical
Structure Type MOL
InChI Key MGCGOMKDYHWIBY-UHFFFAOYSA-M
Parent Compound CHEMBL6069420
Active Moiety CHEMBL6069420
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.98
ALogP
2
HBA
1
HBD
33.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17BrFNO2
MW 366.23
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.29

Literature References

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

Data from ChEMBL 36 via Core Engine