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

CHEMBL3793604

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
COc1cc(CC(O)c2ccc(-c3ccccc3F)cc2)c([N+](=O)[O-])cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793604
Phase Preclinical
Structure Type MOL
InChI Key DBEWJYRQFDHPDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
4.69
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.46
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 C22H20FNO5
MW 397.40
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
27049678 10.1016/j.ejmech.2016.03.049 Rhinovirus B 1
27049678 10.1016/j.ejmech.2016.03.049 ADMET 1
27049678 10.1016/j.ejmech.2016.03.049 Unchecked 1
27049678 10.1016/j.ejmech.2016.03.049 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine