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Compound Detail

CHEMBL573542

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COc1ccc(/N=N/N2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL573542
Phase Preclinical
Structure Type MOL
InChI Key MUGWKDATFDQVFX-OUKQBFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
2.79
ALogP
3
HBA
0
HBD
37.2
PSA (Ų)
0.71
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 C11H15N3O
MW 205.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
19482481 10.1016/j.bmc.2009.05.020 ADMET 2
19482481 10.1016/j.bmc.2009.05.020 Poliovirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Human alphaherpesvirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Respiratory syncytial virus 1
19482481 10.1016/j.bmc.2009.05.020 Coxsackievirus B2 1
19482481 10.1016/j.bmc.2009.05.020 Vero 1
19482481 10.1016/j.bmc.2009.05.020 Mammalian orthoreovirus 1 1
19482481 10.1016/j.bmc.2009.05.020 Yellow fever virus 1
19482481 10.1016/j.bmc.2009.05.020 MT4 1
19482481 10.1016/j.bmc.2009.05.020 Human immunodeficiency virus 1 1
19482481 10.1016/j.bmc.2009.05.020 Vesicular stomatitis virus 1
19482481 10.1016/j.bmc.2009.05.020 Vaccinia virus 1

Data from ChEMBL 36 via Core Engine