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Compound Detail

CHEMBL1165286

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COc1ccc(-c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165286
Phase Preclinical
Structure Type MOL
InChI Key CQAABTSQKNXGGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.44
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O5
MW 394.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.20

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