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Compound Detail

CHEMBL3735636

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COc1cc(C(=O)OCCn2nnc3ccccc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735636
Phase Preclinical
Structure Type MOL
InChI Key FTUGYXHYPUNKCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.31
ALogP
8
HBA
0
HBD
84.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O5
MW 357.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
26443549 10.1016/j.bmc.2015.09.035 ADMET 3
26443549 10.1016/j.bmc.2015.09.035 MT4 1
26443549 10.1016/j.bmc.2015.09.035 Bovine viral diarrhea virus 1 1
26443549 10.1016/j.bmc.2015.09.035 Yellow fever virus 1
26443549 10.1016/j.bmc.2015.09.035 NON-PROTEIN TARGET 1
26443549 10.1016/j.bmc.2015.09.035 Coxsackievirus B5 1
26443549 10.1016/j.bmc.2015.09.035 Human orthopneumovirus 1
26443549 10.1016/j.bmc.2015.09.035 Poliovirus 1 1
26443549 10.1016/j.bmc.2015.09.035 Human immunodeficiency virus 1 1
26443549 10.1016/j.bmc.2015.09.035 Human alphaherpesvirus 1 1
26443549 10.1016/j.bmc.2015.09.035 Vesicular stomatitis virus 1
26443549 10.1016/j.bmc.2015.09.035 Vaccinia virus 1

Data from ChEMBL 36 via Core Engine