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Compound Detail

CHEMBL2420191

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Nc1nc(CCc2ccccc2)c(Br)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2420191
Phase Preclinical
Structure Type MOL
InChI Key CUORADIYDBDEMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

294.1
MW (Da)
1.90
ALogP
3
HBA
2
HBD
71.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12BrN3O
MW 294.15
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
23911856 10.1016/j.ejmech.2013.06.036 Influenza A virus 2
23911856 10.1016/j.ejmech.2013.06.036 Coxsackievirus B4 2
23911856 10.1016/j.ejmech.2013.06.036 Vesicular stomatitis virus 2
23911856 10.1016/j.ejmech.2013.06.036 Human alphaherpesvirus 1 2
23911856 10.1016/j.ejmech.2013.06.036 Cytomegalovirus 2
23911856 10.1016/j.ejmech.2013.06.036 Human alphaherpesvirus 3 2
23911856 10.1016/j.ejmech.2013.06.036 HEL 1
23911856 10.1016/j.ejmech.2013.06.036 Influenza B virus 1
23911856 10.1016/j.ejmech.2013.06.036 ADMET 1
23911856 10.1016/j.ejmech.2013.06.036 HeLa 1
23911856 10.1016/j.ejmech.2013.06.036 Vero 1
23911856 10.1016/j.ejmech.2013.06.036 MDCK 1
23911856 10.1016/j.ejmech.2013.06.036 Feline coronavirus 1
23911856 10.1016/j.ejmech.2013.06.036 Felid alphaherpesvirus 1 1
23911856 10.1016/j.ejmech.2013.06.036 Human alphaherpesvirus 2 1
23911856 10.1016/j.ejmech.2013.06.036 Vaccinia virus 1
23911856 10.1016/j.ejmech.2013.06.036 Respiratory syncytial virus 1
23911856 10.1016/j.ejmech.2013.06.036 Human respirovirus 3 1
23911856 10.1016/j.ejmech.2013.06.036 Mammalian orthoreovirus 1 1
23911856 10.1016/j.ejmech.2013.06.036 Sindbis virus 1

Data from ChEMBL 36 via Core Engine