Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5566262

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc2c(c1)c[n+](Cc1cccc(O)c1)c1ccc(F)cc21.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5566262
Phase Preclinical
Structure Type MOL
InChI Key COZMWVLNJFKJHC-UHFFFAOYSA-N
Parent Compound CHEMBL6069707
Active Moiety CHEMBL6069707
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
4.18
ALogP
2
HBA
1
HBD
33.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17BrFNO2
MW 414.27
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.19

Literature References

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

Data from ChEMBL 36 via Core Engine