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Compound Detail

CHEMBL468193

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

Basic Information

ChEMBL ID CHEMBL468193
Phase Preclinical
Structure Type MOL
InChI Key AAMPMHWXIKGSBP-WUKNDPDISA-N

Known Names

ST-2997
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

351.4
MW (Da)
4.07
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.63
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 C18H19F2NO4
MW 351.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.08

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