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Compound Detail

CHEMBL244478

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COc1cc(CC(=O)O)ccc1OCCCCOc1ccc(CC(=O)NCCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244478
Phase Preclinical
Structure Type MOL
InChI Key FTXWLASCJXTDDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
4.46
ALogP
5
HBA
2
HBD
94.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33NO6
MW 491.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
17448575 10.1016/j.ejmech.2007.01.014 Mus musculus 6
17448575 10.1016/j.ejmech.2007.01.014 No relevant target 2
17448575 10.1016/j.ejmech.2007.01.014 NON-PROTEIN TARGET 1
17448575 10.1016/j.ejmech.2007.01.014 Leukotriene B4 receptor 1

Data from ChEMBL 36 via Core Engine