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Compound Detail

CHEMBL1163987

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COc1cc(-c2coc3cccc(OCC4CCCCC4)c3c2=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163987
Phase Preclinical
Structure Type MOL
InChI Key HHIBGJQYCDAXHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
5.13
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.66
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 C23H24O5
MW 380.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.48

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