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Compound Detail

CHEMBL2316369

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O=C(/C=C/c1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316369
Phase Preclinical
Structure Type MOL
InChI Key FPALVCAAIXZECY-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
5.56
ALogP
6
HBA
0
HBD
99.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23NO6
MW 433.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
23202848 10.1016/j.ejmech.2012.11.007 Interleukin-5 2

Data from ChEMBL 36 via Core Engine