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Compound Detail

CHEMBL5558100

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COc1cc2c[n+](CCO)c3ccc(F)cc3c2cc1I.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558100
Phase Preclinical
Structure Type MOL
InChI Key SOOWUVCTEMWLOA-UHFFFAOYSA-M
Parent Compound CHEMBL6069618
Active Moiety CHEMBL6069618
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
3.03
ALogP
2
HBA
1
HBD
33.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14BrFINO2
MW 478.10
Aromatic Rings 3
Heavy Atoms 21
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