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Compound Detail

CHEMBL5564636

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OCC[n+]1cccc2cc(F)ccc21.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5564636
Phase Preclinical
Structure Type MOL
InChI Key GWADSQXZUHVRCY-UHFFFAOYSA-M
Parent Compound CHEMBL6070136
Active Moiety CHEMBL6070136
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
1.26
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11BrFNO
MW 272.12
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.43

Literature References

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

Data from ChEMBL 36 via Core Engine