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Compound Detail

CHEMBL5557318

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COc1cc2c[n+](CCO)c3ccc(F)cc3c2cc1-c1ccc(F)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5557318
Phase Preclinical
Structure Type MOL
InChI Key YIFOADAEAGXQPK-UHFFFAOYSA-M
Parent Compound CHEMBL6069425
Active Moiety CHEMBL6069425
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.23
ALogP
2
HBA
1
HBD
33.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18BrF2NO2
MW 446.29
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.05

Literature References

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

Data from ChEMBL 36 via Core Engine