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Compound Detail

CHEMBL5542315

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Cc1ccc2c(c1)c[n+](CCO)c1ccc(F)cc21.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542315
Phase Preclinical
Structure Type MOL
InChI Key QSSUUEBLALIQBZ-UHFFFAOYSA-M
Parent Compound CHEMBL6068688
Active Moiety CHEMBL6068688
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.72
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15BrFNO
MW 336.20
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.34

Literature References

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

Data from ChEMBL 36 via Core Engine