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Compound Detail

CHEMBL512641

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COc1ccc(/C(F)=C(/Br)c2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512641
Phase Preclinical
Structure Type MOL
InChI Key LIUKKCUBVYIQBU-MSUUIHNZSA-N

Known Names

ST-3000
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

413.2
MW (Da)
4.62
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18BrFO5
MW 413.24
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
18396857 10.1021/jm701362m NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine