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Compound Detail

CHEMBL513860

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COc1cc(/C(F)=C/c2cc(O)c3ccoc3c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513860
Phase Preclinical
Structure Type MOL
InChI Key QYVMLNBWOIWQDQ-NSIKDUERSA-N

Known Names

ST-3172
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

344.3
MW (Da)
4.63
ALogP
5
HBA
1
HBD
61.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17FO5
MW 344.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.52

Literature References

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

Data from ChEMBL 36 via Core Engine