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Compound Detail

CHEMBL466358

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COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466358
Phase Preclinical
Structure Type MOL
InChI Key PEQCBYIUCYFGKO-QPEQYQDCSA-N

Known Names

ST-3041
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

333.4
MW (Da)
3.77
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.64
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 C18H20FNO4
MW 333.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.07

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