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Compound Detail

CHEMBL406452

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O=c1ccc2ccc(O)c(CN3CCc4ccccc4C3)c2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406452
Phase Preclinical
Structure Type MOL
InChI Key RNNOXRHIPHLBSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.06
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.74
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 C19H17NO3
MW 307.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.03

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 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