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Compound Detail

CHEMBL466148

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COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466148
Phase Preclinical
Structure Type MOL
InChI Key AZOCTXWMCZGHIJ-QPEQYQDCSA-N

Known Names

ST-3039
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

363.3
MW (Da)
4.10
ALogP
6
HBA
0
HBD
80.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18FNO6
MW 363.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.57

Literature References

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

Data from ChEMBL 36 via Core Engine