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

CHEMBL175891

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
COc1c([N+](=O)[O-])cc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175891
Phase Preclinical
Structure Type MOL
InChI Key BLHQCCBDGWGFJW-SREVYHEPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
4.84
ALogP
5
HBA
0
HBD
95.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O5
MW 350.33
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
15658869 10.1021/jm0310737 P388 1
15658869 10.1021/jm0310737 A549 1
15658869 10.1021/jm0310737 HT-29 1
15658869 10.1021/jm0310737 NON-PROTEIN TARGET 1
15658869 10.1021/jm0310737 HL-60 1

Data from ChEMBL 36 via Core Engine