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Compound Detail

CHEMBL1163908

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O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cccc(OCC3CCCCC3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163908
Phase Preclinical
Structure Type MOL
InChI Key AIZOFFYQIHSUAD-MOSHPQCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
5.17
ALogP
5
HBA
0
HBD
78.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21NO5
MW 379.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
20472438 10.1016/j.bmc.2010.04.075 Interleukin-5 2

Data from ChEMBL 36 via Core Engine