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Compound Detail

CHEMBL2420189

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CCCCc1nc(N)[nH]c(=O)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2420189
Phase Preclinical
Structure Type MOL
InChI Key GYRMCQQUYUJLMR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

246.1
MW (Da)
1.46
ALogP
3
HBA
2
HBD
71.8
PSA (Ų)
0.85
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 C8H12BrN3O
MW 246.11
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.09

Activity Summary

EC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vesicular stomatitis virus
CHEMBL613739
 EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vesicular stomatitis virus EC50 = 10000.0 nM 5.0 Antiviral activity against Vesicular stomatitis virus infected in human HeLa cel... 23911856

Literature References

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

Data from ChEMBL 36 via Core Engine