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Compound Detail

CHEMBL5564735

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COc1cc2c[n+](CCO)c3ccc(F)cc3c2cc1-c1ccc2c(c1)OCO2.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5564735
Phase Preclinical
Structure Type MOL
InChI Key MJAIVZMHNXWNIW-UHFFFAOYSA-M
Parent Compound CHEMBL6070323
Active Moiety CHEMBL6070323
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
3.82
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19BrFNO4
MW 472.31
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.11

Literature References

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

Data from ChEMBL 36 via Core Engine