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Compound Detail

CHEMBL261666

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CCCOc1ccc2ccc(=O)oc2c1CN1CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261666
Phase Preclinical
Structure Type MOL
InChI Key ULLCAFUJPDAGQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.14
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO3
MW 349.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
18054491 10.1016/j.bmc.2007.11.045 MT4 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