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Compound Detail

CHEMBL244274

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O=C(O)Cc1ccc(OCCCCOc2ccc(CC(=O)NCCc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244274
Phase Preclinical
Structure Type MOL
InChI Key LMYWUWCKDKFTHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
4.45
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31NO5
MW 461.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
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
17448575 10.1016/j.ejmech.2007.01.014 Mus musculus 1

Data from ChEMBL 36 via Core Engine