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Compound Detail

CHEMBL467957

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COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467957
Phase Preclinical
Structure Type MOL
InChI Key XFDWJFPRZRHWPS-QPEQYQDCSA-N

Known Names

ST-3002
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

336.3
MW (Da)
4.33
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.74
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 C18H18F2O4
MW 336.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.48

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine