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Compound Detail

CHEMBL425788

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O=C(O)/C=C/c1cc(C2CCCCC2)c(-c2ccccn2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425788
Phase Preclinical
Structure Type MOL
InChI Key JFLZDCZXWWPBCT-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
4.22
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.83
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 C18H20N2O2
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
16908138 10.1016/j.bmcl.2006.07.074 RNA-directed RNA polymerase 1
16908138 10.1016/j.bmcl.2006.07.074 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine