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Compound Detail

CHEMBL429856

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CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c(N(C)C)oc2ccc3ccccc3c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL429856
Phase Preclinical
Structure Type MOL
InChI Key YWXUMJVZIBRUKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
4.94
ALogP
7
HBA
0
HBD
90.0
PSA (Ų)
0.16
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23NO6
MW 469.49
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness 0.30

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