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Compound Detail

CHEMBL382756

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O=c1ccc2ccc(O)c(CN3CCOCC3)c2o1

Basic Information

ChEMBL ID CHEMBL382756
Phase Preclinical
Structure Type MOL
InChI Key WKAJWXLJOVDRBB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.33
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15NO4
MW 261.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
16190766 10.1021/jm0580149 Rattus norvegicus 16
16190766 10.1021/jm0580149 Molecular identity unknown 3
16190766 10.1021/jm0580149 Prostaglandin G/H synthase 1 1
16190766 10.1021/jm0580149 Seed linoleate 13S-lipoxygenase-1 1
18054491 10.1016/j.bmc.2007.11.045 MT4 1
18054491 10.1016/j.bmc.2007.11.045 Bovine viral diarrhea virus 1 1
18054491 10.1016/j.bmc.2007.11.045 Yellow fever virus 1
18054491 10.1016/j.bmc.2007.11.045 Respiratory syncytial virus 1
18054491 10.1016/j.bmc.2007.11.045 Poliovirus 1 1
18054491 10.1016/j.bmc.2007.11.045 Vesicular stomatitis virus 1
18054491 10.1016/j.bmc.2007.11.045 Vaccinia virus 1
18054491 10.1016/j.bmc.2007.11.045 Reovirus sp. 1
18054491 10.1016/j.bmc.2007.11.045 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine