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Compound Detail

CHEMBL410698

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COc1ccc2c(=O)c(Cc3c(OC(C)=O)ccc4ccc(=O)oc34)c(N3CCCC3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410698
Phase Preclinical
Structure Type MOL
InChI Key CSEJJSZKNARFFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
4.02
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.25
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 C26H23NO7
MW 461.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.34

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