Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4557726

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(-c2c(-c3ccc([N+](=O)[O-])cc3)noc2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557726
Phase Preclinical
Structure Type MOL
InChI Key FJDFHWJSDVFRJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
4.23
ALogP
5
HBA
0
HBD
78.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O4
MW 310.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 2 1
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine